Molecule

ID:22400

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈NO₄P
Molecular Mass
295.270781
Exact Mass
295.09734469
Charge
0
InChI
InChI=1S/C14H18NO4P/c1-3-18-20(17,19-4-2)10-14(16)12-9-15-13-8-6-5-7-11(12)13/h5-9,15H,3-4,10H2,1-2H3
InChIKey
PGMJTAAMJLMNGE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CC(=O)c1c[nH]c2c1cccc2)OCC
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)C(=O)CP(=O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
13.196304
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9415796
LogD (pH = 7.4)
1.9415789
Log P
1.9415796
Molar Refractivity
76.9994
Polarizability
31.304272
Polar Surface Area
68.39
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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