Molecule

ID:52142

General Information
Structure
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3
InChIKey
RMMRRRLPDBJBQL-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CC(=O)C
Isomeric Smiles
CC(=O)Cc1cc(ccc1)OC
Calculated Properties
JChem
Acid pKa
15.558456
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7829484
LogD (pH = 7.4)
1.7829484
Log P
1.7829484
Molar Refractivity
47.3799
Polarizability
18.438248
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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