Molecule
ID:76177
General Information
Molecular Formula
C₁₁H₁₂O₂
Molecular Mass
176.21178
Exact Mass
176.08372962
Charge
0
InChI
InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3
InChIKey
WLJBRXRCJNSDHT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(cc1)C
Isomeric Smiles
O(C(=O)/C=C/c1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.028735
LogD (pH = 7.4)
3.028735
Log P
3.028735
Molar Refractivity
52.8702
Polarizability
20.055565
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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