Molecule

ID:69389

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
InChIKey
DOZRDZLFLOODMB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
C(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
8.5905285
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4719453
LogD (pH = 7.4)
4.4453287
Log P
4.4722953
Molar Refractivity
71.9547
Polarizability
27.407011
Polar Surface Area
37.3
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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