Chem 5 Nitro Indole Pacific

Compound 117
  CheckMol                        TMF02:r0:m0
MF=C8H6N2O2 MW=162.15
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053    0.7526   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    2.2577   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9158    0.7761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6223   -1.4699   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2210    0.0470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9275   -2.2107   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2328   -1.4346   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6556    0.5174   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6674   -1.8815   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -7.5493   -0.6820   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  2  0  0
  7 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 02  0  1  0  0
  8  9 01  0  1  0  0
 11 12 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

5-Nitro Indole

₹ 0.00 0.00

Chemical Name - 5-Nitro Indole
Mol Weight - 162.148
Smiles - [O-][N+](c(cc1)cc2c1[nH]cc2)=O

Property Name	Property Value
Mol Name	5-Nitro Indole
Molweight	162.148
Monoisotopic Mass	162.042928
Clogp	0.7774
Clogs	-2.601
H Acceptors	4
H Donors	1
Total Surface Area	121.1
Relative Psa	0.36672
Polar Surface Area	61.61
Druglikeness	-5.9961
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.27445
Molecular Complexity	0.71734
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	[O-][N+](c(cc1)cc2c1[nH]cc2)=O
InChIKey	InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
InChI	OZFPSOBLQZPIAV-UHFFFAOYSA-N

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5-Nitro Indole