Molecule

ID:68914

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO
Molecular Mass
95.0993
Exact Mass
95.03711379
Charge
0
InChI
InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h1-4,6H
InChIKey
CHNYVNOFAWYUEG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c[nH]cc1
Isomeric Smiles
[nH]1cc(cc1)C=O
Calculated Properties
JChem
Acid pKa
14.900553
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7656323
LogD (pH = 7.4)
0.7656323
Log P
0.7656323
Molar Refractivity
27.4008
Polarizability
9.935642
Polar Surface Area
32.86
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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