Molecule

ID:70543

General Information
Structure
Molecular Formula
C₂₂H₂₁O₂P
Molecular Mass
348.374701
Exact Mass
348.12791654
Charge
0
InChI
InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKey
VFHVQBAGLAREND-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)C(=O)P(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)(c1c(C)cc(C)cc1C)P(=O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9571
LogD (pH = 7.4)
5.9571
Log P
5.9571
Molar Refractivity
103.7515
Polarizability
40.1349
Polar Surface Area
34.14
Rotatable Bonds
4
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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