Molecule

ID:103942

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀NO₅P
Molecular Mass
183.099661
Exact Mass
183.02965906
Charge
0
InChI
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
InChIKey
DDOQBQRIEWHWBT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CCP(=O)(O)O)N
Isomeric Smiles
NC(CCP(=O)(O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.6247565
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-6.41506
LogD (pH = 7.4)
-7.039654
Log P
-3.729797
Molar Refractivity
35.9469
Polarizability
14.675012
Polar Surface Area
120.85
Rotatable Bonds
4
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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