Molecule

ID:126611

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/h3-4,6H,2,5H2,1H3/b4-3-
InChIKey
GXANMBISFKBPEX-ARJAWSKDSA-N
Canonic Smiles
CC/C=C\CC=O
Isomeric Smiles
O=CC/C=C\CC
Calculated Properties
JChem
LogD (pH = 7.4)
1.29
LogD (pH = 5.5)
1.29
Log P
1.29
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
18.12
Polar Surface Area
17.07
Polarizability
11.41
Molar Refractivity
31.26
LOG S
-1.09
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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