Molecule

ID:2657

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀NO₅P
Molecular Mass
183.099661
Exact Mass
183.02965906
Charge
0
InChI
InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
InChIKey
GJXWDTUCERCKIX-UHFFFAOYSA-N
Canonic Smiles
O=CN(CCCP(=O)(O)O)O
Isomeric Smiles
ON(CCCP(=O)(O)O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.60
LogD (pH = 5.5)
-4.50
Log P
-2.21
Rotatable Bonds
4
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.81
Polar Surface Area
98.07
Polarizability
15.01
Molar Refractivity
36.83
LOG S
2.03
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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