Chem 4 Methylisoquinolin 5 Amine Dsrpl

Compound 166
  CheckMol                        TMF02:r0:m0
MF=C10H10N2 MW=158.20
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4999   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2975    0.7619   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2856   -2.2379   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5951    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5832   -1.4761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2737   -3.7379   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8926    0.7738   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8807   -2.2260   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5713   -4.4878   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1782   -1.4642   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688   -3.7259   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 01  0  2  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  9 11  1  0  0  0  0
  9 12 01  0  1  0  0
  5  6 01  0  1  0  0
 10 12 02  0  1  0  0
M  END

4-Methylisoquinolin-5-amine

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Chemical Name - 4-Methylisoquinolin-5-amine
Mol Weight - 158.203
Smiles - Cc1cncc2cccc(N)c12

Property Name	Property Value
Mol Name	4-Methylisoquinolin-5-amine
Molweight	158.203
Monoisotopic Mass	158.084398
Clogp	1.5197
Clogs	-2.847
H Acceptors	2
H Donors	1
Total Surface Area	127.4
Relative Psa	0.20597
Polar Surface Area	38.91
Druglikeness	-2
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Complexity	0.75722
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
Smiles	Cc1cncc2cccc(N)c12
InChIKey	InChI=1S/C10H10N2/c1-7-5-12-6-8-3-2-4-9(11)10(7)8/h2-6H,11H2,1H3
InChI	AHYRKDKBOIYXFE-UHFFFAOYSA-N

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4-Methylisoquinolin-5-amine