Molecule

ID:108359

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈O₂
Molecular Mass
206.28082
Exact Mass
206.13067982
Charge
0
InChI
InChI=1S/C13H18O2/c1-10(2)9-13(14)15-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKey
WYWVAOQKWGNZHN-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)OC(=O)CC(C)C
Isomeric Smiles
CC(C)CC(=O)OC(C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4957201
LogD (pH = 7.4)
3.4957201
Log P
3.4957201
Molar Refractivity
60.2207
Polarizability
23.983458
Polar Surface Area
26.3
Rotatable Bonds
5
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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