Chemical ID: 6913230

c1ccnc(c1)c2cccc(c2)C(=O)O
Chemical ID:
6913230
Name [?]:
3-(2-pyridyl)benzoic acid
SMILES [?]:
c1ccnc(c1)c2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,6,3,12,7,11,5,13,4,14,15/E:(14,15)/rA:15nCCCNCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO2
All Atoms:24
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.17862
Area:375.888
Solvation:-2.21857
Coulombic:-33.8589
Bond Count [?]
All:16
Single:9
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.205
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.41
LogP (Chemaxon):1.5

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Descriptor Annotations

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