Molecule

ID:89177

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3
InChIKey
UYRSLWPKZKASRB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1O)C(C)(C)C
Isomeric Smiles
O=Cc1ccc(cc1O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
8.436784
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5767407
LogD (pH = 7.4)
3.5393484
Log P
3.577239
Molar Refractivity
53.2888
Polarizability
20.112928
Polar Surface Area
37.3
Rotatable Bonds
2
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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