Molecule

ID:127669

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O₂
Molecular Mass
236.34986
Exact Mass
236.17763001
Charge
0
InChI
InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15+/m1/s1
InChIKey
HYQNKKAJVPMBDR-HIFRSBDPSA-N
Canonic Smiles
CC(=CCCC([C@@H]1CCC(=CC1=O)C)(O)C)C
Isomeric Smiles
CC1=CC(=O)[C@@H](CC1)C(C)(CCC=C(C)C)O
Calculated Properties
JChem
Acid pKa
14.588368
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4264138
LogD (pH = 7.4)
3.4264138
Log P
3.4264138
Molar Refractivity
72.7545
Polarizability
27.843899
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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