Molecule

ID:127122

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChIKey
WNXJIVFYUVYPPR-UHFFFAOYSA-N
Canonic Smiles
C1OCCO1
Isomeric Smiles
O1CCOC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.02
LogD (pH = 5.5)
0.02
Log P
0.02
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-4.01
Polar Surface Area
18.46
Polarizability
7.10
Molar Refractivity
16.90
LOG S
0.25
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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