Molecule

ID:79333

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₂
Molecular Mass
188.22248
Exact Mass
188.08372962
Charge
0
InChI
InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
InChIKey
PPKHAIRFQKFMLE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(cc2)OC
Isomeric Smiles
O(c1ccc2c(c1)cc(cc2)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.64738
LogD (pH = 7.4)
2.64738
Log P
2.64738
Molar Refractivity
55.4346
Polarizability
22.916292
Polar Surface Area
18.46
Rotatable Bonds
2
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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