Molecule

ID:87948

General Information
Structure
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Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
InChIKey
CTKINSOISVBQLD-UHFFFAOYSA-N
Canonic Smiles
OCC1CO1
Isomeric Smiles
O1CC1CO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.68
LogD (pH = 5.5)
-0.68
Log P
-0.68
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.60
Polar Surface Area
32.76
Polarizability
7.23
Molar Refractivity
17.01
LOG S
0.40
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
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Molecule Details
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References
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Bioactivity
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