Molecule

ID:74883

General Information
Structure
MolImage
Molecular Formula
C₃H₈NO₅P
Molecular Mass
169.073081
Exact Mass
169.01400899
Charge
0
InChI
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
InChIKey
LBTABPSJONFLPO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CP(=O)(O)O)N
Isomeric Smiles
P(=O)(O)(O)CC(N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.20
LogD (pH = 5.5)
-6.54
Log P
-3.78
Rotatable Bonds
3
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.42
Polar Surface Area
120.85
Polarizability
13.10
Molar Refractivity
31.08
LOG S
1.94
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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