Molecule

ID:73847

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O
Molecular Mass
176.25484
Exact Mass
176.12011513
Charge
0
InChI
InChI=1S/C12H16O/c1-9(2)7-11-5-6-12(13-4)10(3)8-11/h5-6,8H,1,7H2,2-4H3
InChIKey
FURBDAZHBTVCID-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)CC(=C)C
Isomeric Smiles
O(c1c(cc(cc1)CC(=C)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.670928
LogD (pH = 7.4)
3.670928
Log P
3.670928
Molar Refractivity
56.1317
Polarizability
21.775682
Polar Surface Area
9.23
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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