Compound 69
  CheckMol                        TMF02:r0:m0
MF=C13H18N3NaO4S MW=335.35
 22 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722   -1.4676   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485    1.4913   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913    0.2722   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676   -0.2485   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765   -1.6570   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441   -1.9055   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.9942   -2.8050   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5211   -0.8521   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0951   -3.2429   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.2963    0.6509   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8349   -1.5504   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.5745   -3.0180   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.3731   -4.5566   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1723   -0.8758   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.6042   -4.0951   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4150   -1.7043   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.2669    0.6391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.7524   -1.0297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.6043    1.3137   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.8471    0.4853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8820    0.3787   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11  2  0  0  0  0
  9 12 01  0  1  0  0
 10 13 01  0  1  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17 02  0  1  0  0
 15 18 01  0  1  0  0
 17 19 01  0  1  0  0
 18 20 02  0  1  0  0
 19 21 02  0  1  0  0
 12 13 01  0  1  0  0
 20 21 01  0  1  0  0
M  CHG  1   4  -1
M  CHG  1  22   1
M  END

2D Structure

Analgin

₹ 0.00 0.00

Request Quote

Chemical Name - Analgin
Mol Weight - 310.353
Smiles - CC(N(C)N(C1=O)c2ccccc2)=C1N(C)CS([O-])(=O)=O.[Na+]

Property Name	Property Value
Mol Name	Analgin
Molweight	310.353
Monoisotopic Mass	310.086152
Clogp	-4.119
Clogs	-1.142
H Acceptors	7
Total Surface Area	217.98
Relative Psa	0.3053
Polar Surface Area	92.37
Druglikeness	-0.24486
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.52381
Molecular Flexibility	0.48852
Molecular Complexity	0.84127
Fragments	2
Non H Atoms	21
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	3
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	CC(N(C)N(C1=O)c2ccccc2)=C1N(C)CS([O-])(=O)=O.[Na+]
InChIKey	InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
InChI	DJGAAPFSPWAYTJ-UHFFFAOYSA-M

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile, trade leads and products are user generated content.

Molecule Properties are generated theoretically — any objection please contact us.

Shipping

Usually delivered in 3–4 days.

Enter pincode for exact delivery dates/charges.

Credit / Debit Card Payment

We accept all major credit / debit cards for payment; you can also pay through online banking.

Cash On Delivery

If available, select Cash on Delivery (CoD) payment option while placing the order and pay in cash at the time of actual delivery. No advance payment needed.

1 — Analgin | 2 — Analgin