Molecule

ID:74425

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKey
QQZOPKMRPOGIEB-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)C
Isomeric Smiles
O=C(CCCC)C
Calculated Properties
JChem
Acid pKa
19.64357
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.695953
LogD (pH = 7.4)
1.695953
Log P
1.695953
Molar Refractivity
30.0237
Polarizability
11.85328
Polar Surface Area
17.07
Rotatable Bonds
3
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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