Molecule

ID:2872

General Information
Structure
MolImage
Molecular Formula
C₂H₅O₄P
Molecular Mass
124.032461
Exact Mass
123.99254527
Charge
0
InChI
InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
InChIKey
YEMKIGUKNDOZEG-UHFFFAOYSA-N
Canonic Smiles
O=CCP(=O)(O)O
Isomeric Smiles
OP(=O)(O)CC=O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.24
LogD (pH = 5.5)
-4.16
Log P
-1.87
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.69
Polar Surface Area
74.60
Polarizability
8.75
Molar Refractivity
22.71
LOG S
2.32
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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