Chemical ID: 4123820

c1cc(cnc1)CC(=O)O
Chemical ID:
4123820
Name [?]:
2-(3-pyridyl)acetic acid
SMILES [?]:
c1cc(cnc1)CC(=O)O
InChi [?]:
InChI=1/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,4,3,8,5,9,10/E:(9,10)/rA:10nCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s3;s7;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.60552
Area:292.112
Solvation:-2.69729
Coulombic:-29.6188
Bond Count [?]
All:10
Single:6
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:137.136
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.2
LogP (Chemaxon):-0.71

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Descriptor Annotations

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