Molecule

ID:61707

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2
InChIKey
QMLWSAXEQSBAAQ-UHFFFAOYSA-N
Canonic Smiles
OC1COC1
Isomeric Smiles
O1CC(C1)O
Calculated Properties
JChem
Acid pKa
14.040822
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.67731047
LogD (pH = 7.4)
-0.6773105
Log P
-0.67731047
Molar Refractivity
17.006
Polarizability
6.8989635
Polar Surface Area
29.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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