Molecule

ID:110552

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
RJASFPFZACBKBE-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)Cc1ccccc1)C
Isomeric Smiles
CC(C)COC(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0011914
LogD (pH = 7.4)
3.0011914
Log P
3.0011914
Molar Refractivity
55.8789
Polarizability
22.142221
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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