Molecule

ID:65379

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-6-2-5-3-7-4-5/h2H,3-4H2,1H3
InChIKey
KIOZXWLYKFVVIU-UHFFFAOYSA-N
Canonic Smiles
COC=C1COC1
Isomeric Smiles
C1(=COC)COC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.14061864
LogD (pH = 7.4)
-0.14061864
Log P
-0.14061864
Molar Refractivity
26.6995
Polarizability
10.366585
Polar Surface Area
18.46
Rotatable Bonds
1
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
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References
Bioactivity
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