Chem 5 Nitro 1h Indazole Dsrpl

Compound 206
  CheckMol                        TMF02:r0:m0
MF=C7H5N3O2 MW=163.14
 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 N   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-1H-indazole

₹ 0.00 0.00

Chemical Name - 5-Nitro-1H-indazole
Mol Weight - 163.136
Smiles - [O-][N+](c(cc1)cc2c1[nH]nc2)=O

Property Name	Property Value
Mol Name	5-Nitro-1H-indazole
Molweight	163.136
Monoisotopic Mass	163.038177
Clogp	-0.0515
Clogs	-2.15
H Acceptors	5
H Donors	1
Total Surface Area	119.86
Relative Psa	0.46204
Polar Surface Area	74.5
Druglikeness	-3.1321
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	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	2
Acidic Oxygens	1
Smiles	[O-][N+](c(cc1)cc2c1[nH]nc2)=O
InChIKey	InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChI	WSGURAYTCUVDQL-UHFFFAOYSA-N

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5-Nitro-1H-indazole