Molecule

ID:132754

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N₂O₆P
Molecular Mass
240.150981
Exact Mass
240.05112278
Charge
0
InChI
InChI=1S/C6H13N2O6P/c7-4(6(10)11)1-2-5(9)8-3-15(12,13)14/h4H,1-3,7H2,(H,8,9)(H,10,11)(H2,12,13,14)
InChIKey
GWOPGJQZELPHHS-UHFFFAOYSA-N
Canonic Smiles
O=C(NCP(=O)(O)O)CCC(C(=O)O)N
Isomeric Smiles
C(CC(=O)NCP(=O)(O)O)C(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.4257027
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-6.913969
LogD (pH = 7.4)
-7.460186
Log P
-4.0951934
Molar Refractivity
48.5833
Polarizability
19.63072
Polar Surface Area
149.95
Rotatable Bonds
6
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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