Molecule

ID:127879

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈O
Molecular Mass
236.39292
Exact Mass
236.21401552
Charge
0
InChI
InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
InChIKey
BWVZAZPLUTUBKD-UHFFFAOYSA-N
Canonic Smiles
OC1CCCC(C1)C1CC2CC1C(C2(C)C)C
Isomeric Smiles
OC1CCCC(C1)C1CC2C(C)(C)C(C)C1C2
Calculated Properties
JChem
Acid pKa
18.309834
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7091093
LogD (pH = 7.4)
3.7091093
Log P
3.7091093
Molar Refractivity
71.2408
Polarizability
28.645954
Polar Surface Area
20.23
Rotatable Bonds
1
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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