Molecule

ID:84985

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₂
Molecular Mass
188.22248
Exact Mass
188.08372962
Charge
0
InChI
InChI=1S/C12H12O2/c1-12(9-14-12)11(13)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey
DTWKLMCZLIBJAN-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(C)OC1)/C=C/c1ccccc1
Isomeric Smiles
O1C(C1)(C(=O)/C=C/c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7647874
LogD (pH = 7.4)
2.7647874
Log P
2.7647874
Molar Refractivity
55.554
Polarizability
21.245687
Polar Surface Area
29.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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