Molecule

ID:79733

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₃NO₇P
Molecular Mass
466.678381
Exact Mass
465.02777175
Charge
0
InChI
InChI=1S/C15H22Cl2NO3P.ClHO4/c1-5-20-22(19,21-6-2)15(18(3)4)11-14(17)12-7-9-13(16)10-8-12;2-1(3,4)5/h7-11,15H,5-6H2,1-4H3;(H,2,3,4,5)
InChIKey
GKIUMRHHCOYULF-UHFFFAOYSA-N
Canonic Smiles
O[Cl](=O)(=O)=O.CCOP(=O)(C(N(C)C)/C=C(/c1ccc(cc1)Cl)\Cl)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)C(N(C)C)/C=C(/c1ccc(cc1)Cl)\Cl.[Cl](=O)(=O)(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5195227
LogD (pH = 7.4)
3.7732131
Log P
3.7776299
Molar Refractivity
93.3135
Polarizability
36.663063
Polar Surface Area
38.77
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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