Molecule

ID:3989

General Information
Structure
Molecular Formula
C₂H₈NO₄P
Molecular Mass
141.062981
Exact Mass
141.01909437
Charge
0
InChI
InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Canonic Smiles
NCCOP(=O)(O)O
Isomeric Smiles
NCCOP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.33
LogD (pH = 5.5)
-2.48
Log P
-2.45
Rotatable Bonds
3
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.54
Polar Surface Area
92.78
Polarizability
11.19
Molar Refractivity
27.08
LOG S
1.57
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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