Molecule

ID:134736

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₂
Molecular Mass
76.09442
Exact Mass
76.0524295
Charge
0
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
Canonic Smiles
OCCCO
Isomeric Smiles
C(CO)CO
Calculated Properties
JChem
Acid pKa
15.599172
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1487193
LogD (pH = 7.4)
-1.1487193
Log P
-1.1487193
Molar Refractivity
19.419
Polarizability
7.669779
Polar Surface Area
40.46
Rotatable Bonds
2
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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