Molecule

ID:110652

General Information
Structure
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
DULCUDSUACXJJC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccccc1
Isomeric Smiles
CCOC(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.113696
LogD (pH = 7.4)
2.113696
Log P
2.113696
Molar Refractivity
46.8833
Polarizability
18.455023
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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