Molecule

ID:74863

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₁O₃P
Molecular Mass
376.384801
Exact Mass
376.12283116
Charge
0
InChI
InChI=1S/C23H21O3P/c1-2-26-23(25)22(24)18-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKey
OQLOPRPWPANPIE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=CC(=O)C(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.987816
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.7122
LogD (pH = 7.4)
6.7122
Log P
6.7122
Molar Refractivity
108.5437
Polarizability
42.504253
Polar Surface Area
43.37
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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