Molecule

ID:70290

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)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
InChIKey
RRIQVLZDOZPJTH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Isomeric Smiles
C(=O)c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
9.2840395
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1222243
LogD (pH = 7.4)
5.116698
Log P
5.1222954
Molar Refractivity
71.9547
Polarizability
27.407972
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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