Molecule

ID:2254

General Information
Structure
MolImage
Molecular Formula
C₃H₅O₆P
Molecular Mass
168.041961
Exact Mass
167.98237451
Charge
0
InChI
InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
InChIKey
CHDDAVCOAOFSLD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)CP(=O)(O)O
Isomeric Smiles
OC(=O)C(=O)CP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.19
LogD (pH = 5.5)
-6.07
Log P
-1.31
Rotatable Bonds
3
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.64
Polar Surface Area
111.90
Polarizability
11.91
Molar Refractivity
28.98
LOG S
1.66
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation