Molecule

ID:106204

General Information
Structure
MolImage
Molecular Formula
C₅H₁₅N₂O₄P
Molecular Mass
198.157361
Exact Mass
198.0769436
Charge
0
InChI
InChI=1S/C5H12NO4P.H3N/c6-4(5(8)9)1-2-11(10)3-7;/h4,7,11H,1-3,6H2,(H,8,9);1H3
InChIKey
HFBHZUIZMSQSJO-UHFFFAOYSA-N
Canonic Smiles
OCP(=O)CCC(C(=O)[O-])N.[NH4+]
Isomeric Smiles
[NH4+].NC(CCP(=O)CO)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.4453316
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.6276665
LogD (pH = 7.4)
-4.6345487
Log P
-4.6276665
Molar Refractivity
49.6627
Polarizability
15.953104
Polar Surface Area
103.45
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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