Chemical ID: 6684025

c1c[nH+]ccc1C(=O)O
Chemical ID:
6684025
Name [?]:
1H-pyridine-4-carboxylic acid
SMILES [?]:
c1c[nH+]ccc1C(=O)O
InChi [?]:
InChI=1/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,7,3,8,9/E:(1,2)(3,4)(8,9)/rA:9nCCN+CCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6NO2+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-29.9345
Area:269.888
Solvation:-36.6817
Coulombic:-14.1955
Bond Count [?]
All:9
Single:5
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:124.117
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.39
LogP (Chemaxon):0.05

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Descriptor Annotations

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