Molecule
ID:83390
General Information
Molecular Formula
C₁₁H₁₂Cl₄NO₅P
Molecular Mass
411.002441
Exact Mass
408.92071984
Charge
0
InChI
InChI=1S/C11H12Cl4NO5P/c1-19-22(18,20-2)9(11(13,14)15)21-10(17)16-8-5-3-4-7(12)6-8/h3-6,9H,1-2H3,(H,16,17)
InChIKey
NIRZSWSTQNADLB-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(C(C(Cl)(Cl)Cl)OC(=O)Nc1cccc(c1)Cl)OC
Isomeric Smiles
P(=O)(C(C(Cl)(Cl)Cl)OC(=O)Nc1cc(ccc1)Cl)(OC)OC
Calculated Properties
JChem
Acid pKa
12.836595
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.12654
LogD (pH = 7.4)
4.1265388
Log P
4.12654
Molar Refractivity
86.6799
Polarizability
33.962166
Polar Surface Area
73.86
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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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
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Bioactivity
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