Molecule

ID:85192

General Information
Structure
Molecular Formula
C₁₃H₂₂NO₄P
Molecular Mass
287.291841
Exact Mass
287.12864482
Charge
0
InChI
InChI=1S/C13H22NO4P/c1-10(2)17-19(15,18-11(3)4)14-12-8-6-7-9-13(12)16-5/h6-11H,1-5H3,(H,14,15)
InChIKey
UZNRJLQYQFCHTA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NP(=O)(OC(C)C)OC(C)C
Isomeric Smiles
P(=O)(Nc1c(cccc1)OC)(OC(C)C)OC(C)C
Calculated Properties
JChem
Acid pKa
11.502264
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.431669
LogD (pH = 7.4)
2.4316404
Log P
2.431671
Molar Refractivity
74.6242
Polarizability
29.712624
Polar Surface Area
56.79
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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