Molecule

ID:122854

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2
InChIKey
BAKUAUDFCNFLBX-UHFFFAOYSA-N
Canonic Smiles
C1OCC=CCO1
Isomeric Smiles
O1COCC=CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5433656
LogD (pH = 7.4)
0.5433656
Log P
0.5433656
Molar Refractivity
27.2151
Polarizability
10.366585
Polar Surface Area
18.46
Rotatable Bonds
0
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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