Chemical ID: 4259642

c1cc(cnc1)CCC(=O)O
Chemical ID:
4259642
Name [?]:
3-(3-pyridyl)propanoic acid
SMILES [?]:
c1cc(cnc1)CCC(=O)O
InChi [?]:
InChI=1/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,6,4,3,9,5,10,11/E:(10,11)/rA:11nCCCCNCCCCOO/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.60751
Area:321.733
Solvation:-2.4358
Coulombic:-29.9956
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.37
LogP (Chemaxon):-0.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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