Chemical ID: 4530259

c1cc2c(cc1[N+](=O)[O-])nc[nH]2
Chemical ID:
4530259
Name [?]:
5-nitro-1H-benzoimidazole
SMILES [?]:
c1cc2c(cc1[N+](=O)[O-])nc[nH]2
InChi [?]:
InChI=1/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,6,3,4,12,10,7,8,9/E:(11,12)/CRV:10.5/rA:12nCCCCCCN+OO-NCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s3s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.08285
Area:310.031
Solvation:-6.66793
Coulombic:-26.2895
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:1.09
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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