Chemical ID: 7090745

c1ccc(c(c1)c2cccnc2)C(=O)O
Chemical ID:
7090745
Name [?]:
2-(3-pyridyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)c2cccnc2)C(=O)O
InChi [?]:
InChI=1/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,6,3,10,12,7,5,4,13,11,14,15/E:(14,15)/rA:15nCCCCCCCCCCNCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO2
All Atoms:24
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.61397
Area:355.972
Solvation:-2.28535
Coulombic:-33.3307
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:2.32
LogP (Chemaxon):0.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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