Chemical ID: 5567077

c1ccc(cc1)Nc2cc[n+](cc2C(=O)O)[O-]
Chemical ID:
5567077
Name [?]:
4-anilino-1-oxido-pyridine-3-carboxylic acid
SMILES [?]:
c1ccc(cc1)Nc2cc[n+](cc2C(=O)O)[O-]
InChi [?]:
InChI=1/C12H10N2O3/c15-12(16)10-8-14(17)7-6-11(10)13-9-4-2-1-3-5-9/h1-8,13H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,12,4,13,8,14,7,11,15,16,17/E:(2,3)(4,5)(15,16)/CRV:14.5/rA:17nCCCCCCNCCCN+CCCOOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-1.57595
Area:395.083
Solvation:-11.453
Coulombic:-47.9884
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.219
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.72
LogP (Chemaxon):0.47

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