Molecule

ID:89883

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O
Molecular Mass
98.143
Exact Mass
98.07316494
Charge
0
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3
InChIKey
ODEHKVYXWLXRRR-UHFFFAOYSA-N
Canonic Smiles
OCCC#CCC
Isomeric Smiles
OCCC#CCC
Calculated Properties
JChem
Acid pKa
16.127457
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.279166
LogD (pH = 7.4)
1.279166
Log P
1.279166
Molar Refractivity
30.6983
Polarizability
11.301622
Polar Surface Area
20.23
Rotatable Bonds
3
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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