Chemical ID: 4662245

c1c[n-]ccc1=O
Chemical ID:
4662245
Name [?]:
pyridin-4-one
SMILES [?]:
c1c[n-]ccc1=O
InChi [?]:
InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)/p-1
InChi Info:
AuxInfo=1/5/N:1,5,2,4,6,3,7/E:(1,2)(3,4)/rA:7nCCN-CCCO/rB:d1;s2;s3;d4;s1s5;d6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C5H4NO-
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:-29.8326
Area:231.297
Solvation:-35.615
Coulombic:15.9665
Bond Count [?]
All:7
Single:4
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:94.0914
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.73
LogP (Chemaxon):0.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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