Molecule

ID:107662

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O
Molecular Mass
174.23896
Exact Mass
174.10446507
Charge
0
InChI
InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
ULRYRAHIBWLZKC-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\C(C)C)/c1ccccc1
Isomeric Smiles
CC(C)/C=C(\C=O)/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1606417
LogD (pH = 7.4)
3.1606417
Log P
3.1606417
Molar Refractivity
55.6412
Polarizability
21.316837
Polar Surface Area
17.07
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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