Compound 86
  CheckMol                        TMF02:r0:m0
MF=C22H17ClN2 MW=344.84
 25 28  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.5249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3499   -2.2749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2999   -2.2749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1999   -3.6998   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6874   -1.4999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874   -3.7998   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0500   -4.5497   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6999    0.0500   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6999   -3.0248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0248   -2.2499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9498    0.9624   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4749    0.9624   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8498   -3.7873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.7124   -3.9748   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3622   -1.4749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4123   -3.8248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4873    2.4374   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9624    2.4374   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0623   -5.2997   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3999   -5.2997   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6996   -2.2249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3747   -4.5247   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7498   -6.0497   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.7121   -3.7498   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 10 15 01  0  1  0  0
 11 16 02  0  1  0  0
 11 17 01  0  1  0  0
 12 18 02  0  1  0  0
 13 19 02  0  1  0  0
 14 20 01  0  1  0  0
 15 21 02  0  1  0  0
 16 22 01  0  1  0  0
 17 23 02  0  1  0  0
 20 24 02  0  1  0  0
 22 25 02  0  1  0  0
  7  8 01  0  1  0  0
 18 19 01  0  1  0  0
 21 24 01  0  1  0  0
 23 25 01  0  1  0  0
M  END

2D Structure

Clotrimazole

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Chemical Name - Clotrimazole
Mol Weight - 344.844
Smiles - Clc1c(C(c2ccccc2)(c2ccccc2)n2cncc2)cccc1

Property Name	Property Value
Mol Name	Clotrimazole
Molweight	344.844
Monoisotopic Mass	344.108025
Clogp	5.3668
Clogs	-7.716
H Acceptors	2
Total Surface Area	266.33
Relative Psa	0.066985
Polar Surface Area	17.82
Druglikeness	2.0579
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.36
Molecular Flexibility	0.41781
Molecular Complexity	0.83928
Fragments	1
Non H Atoms	25
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3 Atoms	1
Symmetric Atoms	8
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	Clc1c(C(c2ccccc2)(c2ccccc2)n2cncc2)cccc1
InChIKey	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChI	VNFPBHJOKIVQEB-UHFFFAOYSA-N

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1 — Clotrimazole | 2 — Clotrimazole