Molecule

ID:119017

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O
Molecular Mass
196.32906
Exact Mass
196.18271539
Charge
0
InChI
InChI=1S/C13H24O/c1-9(2)13(4,5)11-6-7-12(14)10(3)8-11/h9-11H,6-8H2,1-5H3
InChIKey
FPDCOXAYRBJKJJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CC1C)C(C(C)C)(C)C
Isomeric Smiles
C1(C(C(C)C)(C)C)CC(C(=O)CC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0814223
LogD (pH = 7.4)
4.0814223
Log P
4.0814223
Molar Refractivity
60.1448
Polarizability
24.032774
Polar Surface Area
17.07
Rotatable Bonds
2
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
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References
Bioactivity
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