Chem 1 Chloro Isoquinoline 6 Carbonitrile Dsrpl

Compound 218
  CheckMol                        TMF02:r0:m0
MF=C10H5ClN2 MW=188.62
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142   -0.7341   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6285    0.0355   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3261   -2.2259   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9427   -0.6986   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6403   -2.9600   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9718   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9546   -2.1904   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6522   -4.4518   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4637   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3616   -5.1978   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3734   -6.6896   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853   -8.1814   -0.0000 N   0  0  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 01  0  2  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  9 11 01  0  1  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
  6  8 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

1-Chloro-isoquinoline-6-carbonitrile

₹ 0.00 0.00

Chemical Name - 1-Chloro-isoquinoline-6-carbonitrile
Mol Weight - 188.617
Smiles - N#Cc1ccc2c(Cl)nccc2c1

Property Name	Property Value
Mol Name	1-Chloro-isoquinoline-6-carbonitrile
Molweight	188.617
Monoisotopic Mass	188.014125
Clogp	2.3921
Clogs	-3.699
H Acceptors	2
Total Surface Area	143.75
Relative Psa	0.17064
Polar Surface Area	36.68
Druglikeness	-5.895
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Complexity	0.67534
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
Aromatic Nitrogens	1
Smiles	N#Cc1ccc2c(Cl)nccc2c1
InChIKey	InChI=1S/C10H5ClN2/c11-10-9-2-1-7(6-12)5-8(9)3-4-13-10/h1-5H
InChI	PEGDRHQYGZULLT-UHFFFAOYSA-N

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1 - 1-Chloro-isoquinoline-6-carbonitrile
2 - 1-Chloro-isoquinoline-6-carbonitrile

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1-Chloro-isoquinoline-6-carbonitrile