Molecule

ID:106057

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChIKey
JMMWKPVZQRWMSS-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)C)C
Isomeric Smiles
CC(C)OC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6959313
LogD (pH = 7.4)
0.6959313
Log P
0.6959313
Molar Refractivity
26.5802
Polarizability
10.71875
Polar Surface Area
26.3
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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