Molecule

ID:79665

General Information
Structure
Molecular Formula
C₁₃H₂₄O
Molecular Mass
196.32906
Exact Mass
196.18271539
Charge
0
InChI
InChI=1S/C13H24O/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h1-12H2
InChIKey
VHUGWUBIUBBUAF-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCCCCCCCC1
Isomeric Smiles
O=C1CCCCCCCCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.600175
LogD (pH = 7.4)
4.600175
Log P
4.600175
Molar Refractivity
60.4544
Polarizability
24.032774
Polar Surface Area
17.07
Rotatable Bonds
0
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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