Molecule
ID:107101
General Information
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/h3-4,10H,2,5-9H2,1H3
InChIKey
UZFFFFWQKMPLAC-UHFFFAOYSA-N
Canonic Smiles
O=CCCCCC/C=C/CC
Isomeric Smiles
CC/C=C/CCCCCC=O
Calculated Properties
JChem
Acid pKa
15.551788
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
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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