Chem 5 Chloro8 Hydroxyquinoline

Compound 31
  CheckMol                        TMF02:r0:m0
MF=C9H6ClNO MW=179.61
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053   -0.7291   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6106    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3171   -2.2108   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9159   -0.6938   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6223    1.5405   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6223   -2.9398   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2212    0.0706   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9276   -2.1755   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9276    2.3048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2329    1.5758   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2329   -2.9046   -0.0000 O   0  0  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
  9 12  1  0  0  0  0
  7  9 02  0  1  0  0
 10 11 02  0  1  0  0
M  END

5-Chloro,8-Hydroxyquinoline

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Chemical Name - 5-Chloro,8-Hydroxyquinoline
Mol Weight - 179.606
Smiles - Oc(c1ncccc11)ccc1Cl

Property Name	Property Value
Mol Name	5-Chloro,8-Hydroxyquinoline
Molweight	179.606
Monoisotopic Mass	179.013791
Clogp	2.2359
Clogs	-2.762
H Acceptors	2
H Donors	1
Total Surface Area	128.39
Relative Psa	0.18748
Polar Surface Area	33.12
Druglikeness	-1.709
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Complexity	0.76245
Fragments	1
Non H Atoms	12
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
Smiles	Oc(c1ncccc11)ccc1Cl
InChIKey	InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChI	CTQMJYWDVABFRZ-UHFFFAOYSA-N

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5-Chloro,8-Hydroxyquinoline