Molecule

ID:129187

General Information
Structure
MolImage
Molecular Formula
C₅H₆O
Molecular Mass
82.10054
Exact Mass
82.04186481
Charge
0
InChI
InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2
InChIKey
MGADZUXDNSDTHW-UHFFFAOYSA-N
Canonic Smiles
O1CC=CC=C1
Isomeric Smiles
C1=CC=CCO1
Calculated Properties
JChem
LogD (pH = 7.4)
0.78
LogD (pH = 5.5)
0.78
Log P
0.78
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.75
Polar Surface Area
9.23
Polarizability
8.46
Molar Refractivity
26.21
LOG S
-1.14
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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