Molecule

ID:80421

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O
Molecular Mass
196.32906
Exact Mass
196.18271539
Charge
0
InChI
InChI=1S/C13H24O/c1-11(2)9-13(10-12(3)14)7-5-4-6-8-13/h11H,4-10H2,1-3H3
InChIKey
VLOKTCQPOMDLJM-UHFFFAOYSA-N
Canonic Smiles
CC(CC1(CCCCC1)CC(=O)C)C
Isomeric Smiles
O=C(CC1(CC(C)C)CCCCC1)C
Calculated Properties
JChem
Acid pKa
19.569887
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.884587
LogD (pH = 7.4)
3.884587
Log P
3.884587
Molar Refractivity
60.1978
Polarizability
24.032774
Polar Surface Area
17.07
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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