Molecule

ID:110580

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
IQVAERDLDAZARL-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1ccccc1)C
Isomeric Smiles
CC(C=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.00
LogD (pH = 5.5)
2.00
Log P
2.00
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.77
Polar Surface Area
17.07
Polarizability
14.85
Molar Refractivity
41.01
LOG S
-1.32
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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