Molecule

ID:2486

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
InChIKey
RUPAXCPQAAOIPB-UHFFFAOYSA-N
Canonic Smiles
O=COC(C)(C)C
Isomeric Smiles
CC(C)(C)OC=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9278093
LogD (pH = 7.4)
0.9278093
Log P
0.9278093
Molar Refractivity
26.7279
Polarizability
10.71875
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.54
LOG S
-0.61
Solubility (Water)
2.50e+01 g/l
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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