Molecule

ID:119683

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O
Molecular Mass
192.2973
Exact Mass
192.15141526
Charge
0
InChI
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChIKey
JXJIQCXXJGRKRJ-KOOBJXAQSA-N
Canonic Smiles
C/C(=C\C=C\C(=O)C)/CCC=C(C)C
Isomeric Smiles
C(=C\C(=O)C)/C=C(/CCC=C(C)C)\C
Calculated Properties
JChem
Acid pKa
19.728086
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.679499
LogD (pH = 7.4)
3.679499
Log P
3.679499
Molar Refractivity
64.9192
Polarizability
24.070398
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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