Molecule

ID:84948

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₃O₄P
Molecular Mass
418.421481
Exact Mass
418.13339585
Charge
0
InChI
InChI=1S/C25H23O4P/c1-3-29-25(28)23(27)24(19(2)26)30(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChIKey
SGQYTTDMRIHFKU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C
Isomeric Smiles
P(=C(C(=O)C(=O)OCC)C(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.584545
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.7866
LogD (pH = 7.4)
7.7866
Log P
7.7866
Molar Refractivity
118.3794
Polarizability
46.24595
Polar Surface Area
60.44
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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