Molecule

ID:76929

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/h2-5,7H,6H2,1H3
InChIKey
MEIRRNXMZYDVDW-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C=C/CO
Isomeric Smiles
OC/C=C/C=C/C
Calculated Properties
JChem
Acid pKa
16.20619
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1265234
LogD (pH = 7.4)
1.1265234
Log P
1.1265234
Molar Refractivity
33.4161
Polarizability
11.9286
Polar Surface Area
20.23
Rotatable Bonds
2
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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