Molecule

ID:85218

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₆Cl₃N₂OP
Molecular Mass
507.819501
Exact Mass
506.08483313
Charge
0
InChI
InChI=1S/C25H25Cl2N2OP.ClH/c1-25(2,3)29-24(30)28-23(22(26)27)31(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;/h4-18H,1-3H3,(H-,28,29,30);1H
InChIKey
SUUWGZWKEMMPIO-UHFFFAOYSA-N
Canonic Smiles
ClC(=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)NC(C)(C)C)Cl.[Cl-]
Isomeric Smiles
N(C(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(C)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
11.268586
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
6.0830746
LogD (pH = 7.4)
6.083023
Log P
6.083075
Molar Refractivity
151.1702
Polarizability
51.146988
Polar Surface Area
41.13
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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