Molecule

ID:67260

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO
Molecular Mass
95.0993
Exact Mass
95.03711379
Charge
0
InChI
InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
InChIKey
ZSKGQVFRTSEPJT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc[nH]1
Isomeric Smiles
[nH]1c(ccc1)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.69
LogD (pH = 5.5)
0.69
Log P
0.69
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.21
Polar Surface Area
32.86
Polarizability
9.30
Molar Refractivity
27.28
LOG S
-0.71
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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