Chemical ID: 5567073

c1ccc(cc1)C(c2ccccc2)Nc3cc[n+](cc3C(=O)O)[O-]
Chemical ID:
5567073
Name [?]:
4-benzhydrylamino-1-oxido-pyridine-3-carboxylic acid
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)Nc3cc[n+](cc3C(=O)O)[O-]
InChi [?]:
InChI=1/C19H16N2O3/c22-19(23)16-13-21(24)12-11-17(16)20-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18,20H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,16,17,19,4,8,20,15,7,21,14,18,22,23,24/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(22,23)/CRV:21.5/rA:24nCCCCCCCCCCCCCNCCCN+CCCOOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:1.25341
Area:517.561
Solvation:-11.6856
Coulombic:-51.8671
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.342
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):2.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue