Chemical ID: 6693966

c1cc2cn[nH]c2c(c1)N(=O)=O
Chemical ID:
6693966
Name [?]:
7-nitro-1H-indazole
SMILES [?]:
c1cc2cn[nH]c2c(c1)N(=O)=O
InChi [?]:
InChI=1/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,9,4,3,8,7,5,6,10,11,12/E:(11,12)/CRV:10.5/rA:12nCCCCNNCCCNOO/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s8;d10;d10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:0.751561
Area:305.372
Solvation:-6.88273
Coulombic:-21.5337
Bond Count [?]
All:13
Single:7
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:163.134
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):1.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue