Molecule

ID:112645

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O₂
Molecular Mass
236.34986
Exact Mass
236.17763001
Charge
0
InChI
InChI=1S/C15H24O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,16H,2-7,12-13H2,1H3
InChIKey
BVSGXVHDNMPZSE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOc1ccc(cc1)CO
Isomeric Smiles
CCCCCCCCOc1ccc(CO)cc1
Calculated Properties
JChem
Acid pKa
15.021567
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1503983
LogD (pH = 7.4)
4.1503983
Log P
4.1503983
Molar Refractivity
71.6147
Polarizability
28.205814
Polar Surface Area
29.46
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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