Molecule

ID:83023

General Information
Structure
Molecular Formula
C₂₃H₁₉O₂P
Molecular Mass
358.369521
Exact Mass
358.11226648
Charge
0
InChI
InChI=1S/C23H19O2P/c24-23(22-17-9-11-18-10-7-8-16-21(18)22)26(25,19-12-3-1-4-13-19)20-14-5-2-6-15-20/h1-17,23-24H
InChIKey
CENLJJOMEYXGTA-UHFFFAOYSA-N
Canonic Smiles
OC(P(=O)(c1ccccc1)c1ccccc1)c1cccc2c1cccc2
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1c2c(ccc1)cccc2)O
Calculated Properties
JChem
Acid pKa
12.787697
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.465
LogD (pH = 7.4)
5.4649982
Log P
5.465
Molar Refractivity
105.4743
Polarizability
42.985817
Polar Surface Area
37.3
Rotatable Bonds
4
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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