Molecule

ID:89770

General Information
Structure
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
InChIKey
WDCUPFMSLUIQBH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1ccc(cc1)C
Isomeric Smiles
O(Cc1ccc(cc1)C)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1604428
LogD (pH = 7.4)
2.1604428
Log P
2.1604428
Molar Refractivity
47.0666
Polarizability
18.374481
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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