Molecule

ID:1609

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₂
Molecular Mass
76.09442
Exact Mass
76.0524295
Charge
0
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
InChIKey
DNIAPMSPPWPWGF-GSVOUGTGSA-N
Canonic Smiles
OC[C@H](O)C
Isomeric Smiles
C[C@@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.79
LogD (pH = 5.5)
-0.79
Log P
-0.79
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.47
Polar Surface Area
40.46
Polarizability
8.04
Molar Refractivity
18.97
LOG S
0.75
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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