Molecule

ID:103896

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂O
Molecular Mass
252.43538
Exact Mass
252.24531564
Charge
0
InChI
InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3
InChIKey
HSGUJTMCFWXGAP-UHFFFAOYSA-N
Canonic Smiles
O=CCCCCCC/C=C/CCCCC(CC)C
Isomeric Smiles
CCC(C)CCCC/C=C/CCCCCCC=O
Calculated Properties
JChem
Acid pKa
15.55538
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.023064
LogD (pH = 7.4)
6.023064
Log P
6.023064
Molar Refractivity
81.8234
Polarizability
31.922955
Polar Surface Area
17.07
Rotatable Bonds
13
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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