Molecule

ID:59391

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀NO₄P
Molecular Mass
179.110961
Exact Mass
179.03474444
Charge
0
InChI
InChI=1S/C5H10NO4P/c1-3-9-11(8,6-5-7)10-4-2/h3-4H2,1-2H3
InChIKey
BSCBJDQIQBYMBT-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(N=C=O)OCC
Isomeric Smiles
O(P(=O)(N=C=O)OCC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.1750553
LogD (pH = 7.4)
0.1750553
Log P
0.1750553
Molar Refractivity
37.9906
Polarizability
15.334225
Polar Surface Area
64.96
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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