Chem Isoquinolin 8 Ol Dsrpl

Compound 121
  CheckMol                        TMF02:r0:m0
MF=C9H7NO MW=145.16
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    0.7593   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5863    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2813    2.2779   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8795    0.7712   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5745   -1.4830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5745    3.0372   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1727    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8676    2.2897   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8676   -2.2304   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1608   -1.4711   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  2  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  8 11 01  0  1  0  0
  7  9 02  0  1  0  0
 10 11 02  0  1  0  0
M  END

Isoquinolin-8-ol

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Chemical Name - Isoquinolin-8-ol
Mol Weight - 145.161
Smiles - Oc1cccc2ccncc12

Property Name	Property Value
Mol Name	Isoquinolin-8-ol
Molweight	145.161
Monoisotopic Mass	145.052764
Clogp	1.5074
Clogs	-2.131
H Acceptors	2
H Donors	1
Total Surface Area	112.97
Relative Psa	0.21307
Polar Surface Area	33.12
Druglikeness	-1.88
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.69052
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
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	Oc1cccc2ccncc12
InChIKey	InChI=1S/C9H7NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h1-6,11H
InChI	ZIXWTPREILQLAC-UHFFFAOYSA-N

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Isoquinolin-8-ol