Molecule

ID:3465

General Information
Structure
MolImage
Molecular Formula
C₂H₇O₄P
Molecular Mass
126.048341
Exact Mass
126.00819533
Charge
0
InChI
InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKey
ZJXZSIYSNXKHEA-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(O)O
Isomeric Smiles
CCOP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.33
LogD (pH = 5.5)
-2.66
Log P
-0.29
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.80
Polar Surface Area
66.76
Polarizability
9.80
Molar Refractivity
23.88
LOG S
1.19
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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