Molecule

ID:110123

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3
InChIKey
MMFCJPPRCYDLLZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC=CC=O
Isomeric Smiles
CCCCCCC/C=C/C=O
Calculated Properties
JChem
LogD (pH = 7.4)
3.43
LogD (pH = 5.5)
3.43
Log P
3.43
Rotatable Bonds
7
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.20
Polar Surface Area
17.07
Polarizability
19.82
Molar Refractivity
49.65
LOG S
-3.74
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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