Chem 1 Hydroxyisoquinoline 8 Carbonitrile Dsrpl

Compound 222
  CheckMol                        TMF02:r0:m0
MF=C10H6N2O MW=170.17
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137   -0.7338   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6273    0.0355   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3255   -2.2249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9410   -0.6982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6391   -2.9587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9528   -2.1894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2545   -2.2131   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4617   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6510   -4.4499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5445   -1.4557   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610   -5.1954   -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
  4  6 02  0  1  0  0
  4  7 01  0  2  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  9 12  3  0  0  0  0
 10 13 02  0  1  0  0
  7  8 01  0  1  0  0
 11 13 01  0  1  0  0
M  END

1-Hydroxyisoquinoline-8-carbonitrile

₹ 0.00 0.00

Chemical Name - 1-Hydroxyisoquinoline-8-carbonitrile
Mol Weight - 170.171
Smiles - N#Cc1c2c(O)nccc2ccc1

Property Name	Property Value
Mol Name	1-Hydroxyisoquinoline-8-carbonitrile
Molweight	170.171
Monoisotopic Mass	170.048013
Clogp	1.6944
Clogs	-3.429
H Acceptors	3
H Donors	1
Total Surface Area	134.68
Relative Psa	0.2794
Polar Surface Area	56.91
Druglikeness	-6.0516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Complexity	0.70997
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	N#Cc1c2c(O)nccc2ccc1
InChIKey	InChI=1S/C10H6N2O/c11-6-8-3-1-2-7-4-5-12-10(13)9(7)8/h1-5H,(H,12,13)
InChI	FKOHOLFHSIBFCC-UHFFFAOYSA-N

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1-Hydroxyisoquinoline-8-carbonitrile