Molecule

ID:135732

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₃
Molecular Mass
92.09382
Exact Mass
92.04734412
Charge
0
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
PEDCQBHIVMGVHV-UHFFFAOYSA-N
Canonic Smiles
OCC(CO)O
Isomeric Smiles
C(C(CO)O)O
Calculated Properties
JChem
Acid pKa
13.605499
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.839014
LogD (pH = 7.4)
-1.8390143
Log P
-1.839014
Molar Refractivity
20.5161
Polarizability
8.232059
Polar Surface Area
60.69
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...