Molecule

ID:69321

General Information
Structure
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Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChIKey
UIZVMOZAXAMASY-UHFFFAOYSA-N
Canonic Smiles
OCCCCC=C
Isomeric Smiles
C(CCCC=C)O
Calculated Properties
JChem
Acid pKa
16.918653
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3904712
LogD (pH = 7.4)
1.3904713
Log P
1.3904713
Molar Refractivity
31.381
Polarizability
12.164464
Polar Surface Area
20.23
Rotatable Bonds
4
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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