Chem 4 Amino Isoquinoline Dsrpl

Compound 109
  CheckMol                        TMF02:r0:m0
MF=C9H8N2 MW=144.18
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2979    0.7621   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.5003   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5958    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2860   -2.2385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8936    0.7740   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838   -1.4884   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2741   -3.7388   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8817   -2.2385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5719   -4.4890   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8698   -3.7388   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 02  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  7  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
  5  7 01  0  2  0  0
 10 11 02  0  1  0  0
M  END

4-Amino-isoquinoline

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Chemical Name - 4-Amino-isoquinoline
Mol Weight - 144.177
Smiles - Nc1cncc2ccccc12

Property Name	Property Value
Mol Name	4-Amino-isoquinoline
Molweight	144.177
Monoisotopic Mass	144.068748
Clogp	1.1758
Clogs	-2.503
H Acceptors	2
H Donors	1
Total Surface Area	115.14
Relative Psa	0.2279
Polar Surface Area	38.91
Druglikeness	-1.9084
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.67674
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
Smiles	Nc1cncc2ccccc12
InChIKey	InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
InChI	ISIUXVGHQFJYHM-UHFFFAOYSA-N

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4-Amino-isoquinoline