Molecule

ID:110520

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
QUMXDOLUJCHOAY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)OC(=O)C
Isomeric Smiles
CC(OC(=O)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0635965
LogD (pH = 7.4)
2.0635965
Log P
2.0635965
Molar Refractivity
46.4442
Polarizability
18.451956
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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