Molecule

ID:74864

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₃O₃P
Molecular Mass
390.411381
Exact Mass
390.13848123
Charge
0
InChI
InChI=1S/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3
InChIKey
QYXSFVCJCUXGJH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=CC(=O)CC(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.046894
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.944699
LogD (pH = 7.4)
5.944602
Log P
5.9447
Molar Refractivity
113.0929
Polarizability
44.349445
Polar Surface Area
43.37
Rotatable Bonds
8
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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