Molecule

ID:80902

General Information
Structure
Molecular Formula
C₂₉H₂₄ClO₂P
Molecular Mass
470.926421
Exact Mass
470.12024432
Charge
0
InChI
InChI=1S/C29H24O2P.ClH/c1-22-17-18-28-27(19-22)23(20-29(30)31-28)21-32(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKey
FODDXVCTRSGKLJ-UHFFFAOYSA-M
Canonic Smiles
Cc1ccc2c(c1)c(cc(=O)o2)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1cc(=O)oc2c1cc(cc2)C.[Cl-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.4617724
LogD (pH = 7.4)
6.4617724
Log P
6.4617724
Molar Refractivity
131.6064
Polarizability
51.10679
Polar Surface Area
26.3
Rotatable Bonds
5
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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