Molecule

ID:90487

General Information
Structure
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/h6-7,10H,2-5,8-9H2,1H3
InChIKey
CWRKZMLUDFBPAO-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/CCC=O
Isomeric Smiles
O=CCC/C=C/CCCCC
Calculated Properties
JChem
Acid pKa
17.950216
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0686328
LogD (pH = 7.4)
3.0686328
Log P
3.0686328
Molar Refractivity
49.6688
Polarizability
18.9974
Polar Surface Area
17.07
Rotatable Bonds
7
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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