Molecule

ID:104247

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChIKey
CDOSHBSSFJOMGT-UHFFFAOYSA-N
Canonic Smiles
C=CC(CCC=C(C)C)(O)C
Isomeric Smiles
CC(=CCCC(C)(O)C=C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.65
LogD (pH = 5.5)
2.65
Log P
2.65
Rotatable Bonds
4
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.29
Polar Surface Area
20.23
Polarizability
19.31
Molar Refractivity
50.21
LOG S
-2.10
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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