Chemical ID: 4538397

c1ccnc(c1)C(=O)Nc2cccc(c2)C(=O)O
Chemical ID:
4538397
Name [?]:
3-(2-pyridylcarbonylamino)benzoic acid
SMILES [?]:
c1ccnc(c1)C(=O)Nc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C13H10N2O3/c16-12(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,15,14,10,5,7,16,4,9,8,17,18/E:(17,18)/rA:18nCCCNCCCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.07073
Area:427.422
Solvation:-2.61482
Coulombic:-55.6041
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.23
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):1.71

Name Annotations

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Descriptor Annotations

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