Chemical ID: 7118190

c1cc2c(ccc(c2[nH+]c1)O)[N+](=O)[O-]
Chemical ID:
7118190
Name [?]:
5-nitro-1H-quinolin-8-ol
SMILES [?]:
c1cc2c(ccc(c2[nH+]c1)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,10,3,4,7,8,9,12,11,13,14/E:(13,14)/CRV:11.5/rA:14nCCCCCCCCN+CON+OO-/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s7;s4;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N2O3+
All Atoms:21
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-32.9564
Area:334.934
Solvation:-41.3297
Coulombic:-13.8069
Bond Count [?]
All:15
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.164
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.49
LogP (Chemaxon):1.81

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Descriptor Annotations

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