Chemical ID: 5871409

c1cc2c(cn[nH]2)c(c1)[N+](=O)[O-]
Chemical ID:
5871409
Name [?]:
4-nitro-1H-indazole
SMILES [?]:
c1cc2c(cn[nH]2)c(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,9,5,4,3,8,6,7,10,11,12/E:(11,12)/CRV:10.5/rA:12nCCCCCNNCCN+OO-/rB:s1;d2;s3;s4;d5;s3s6;d4;d1s8;s8;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.13823
Area:304.763
Solvation:-6.48084
Coulombic:-21.0345
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:163.134
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.92
LogP (Chemaxon):1.72

Name Annotations

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Descriptor Annotations

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