Chemical ID: 5230834

c1cc2c(cc1[N+](=O)[O-])ncc(c2O)C(=O)O
Chemical ID:
5230834
Name [?]:
4-hydroxy-7-nitro-quinoline-3-carboxylic acid
SMILES [?]:
c1cc2c(cc1[N+](=O)[O-])ncc(c2O)C(=O)O
InChi [?]:
InChI=1/C10H6N2O5/c13-9-6-2-1-5(12(16)17)3-8(6)11-4-7(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,6,3,12,4,13,15,10,7,14,16,17,8,9/E:(14,15)(16,17)/CRV:12.5/rA:17nCCCCCCN+OO-NCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s11;s3d12;s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2O5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:1.26112
Area:389.016
Solvation:-8.46428
Coulombic:-57.5974
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.165
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.3
LogP (Chemaxon):1.74

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Descriptor Annotations

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