Molecule

ID:90531

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3
InChIKey
GLZPCOQZEFWAFX-UHFFFAOYSA-N
Canonic Smiles
OC/C=C(/CCC=C(C)C)\C
Isomeric Smiles
OC/C=C(/CCC=C(C)C)\C
Calculated Properties
JChem
Acid pKa
16.330025
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5023832
LogD (pH = 7.4)
2.5023832
Log P
2.5023832
Molar Refractivity
51.1821
Polarizability
19.314552
Polar Surface Area
20.23
Rotatable Bonds
4
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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