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Chemical ID: 4538397
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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Experimental Annotations
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Descriptor Annotations
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