Molecule

ID:69359

General Information
Structure
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
RPUSRLKKXPQSGP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCc1ccccc1
Isomeric Smiles
C(=O)(CCc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2014568
LogD (pH = 7.4)
2.2014568
Log P
2.2014568
Molar Refractivity
46.7357
Polarizability
18.456387
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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