Molecule

ID:110596

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey
FLUWAIIVLCVEKF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC(Cc1ccccc1)(C)C
Isomeric Smiles
CC(=O)OC(C)(C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6328344
LogD (pH = 7.4)
2.6328344
Log P
2.6328344
Molar Refractivity
55.8374
Polarizability
22.143265
Polar Surface Area
26.3
Rotatable Bonds
4
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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