Molecule
ID:86586
General Information
Molecular Formula
C₁₄H₁₇Cl₂N₂O₄PS₂
Molecular Mass
443.305541
Exact Mass
441.97444102
Charge
0
InChI
InChI=1S/C14H17Cl2N2O4PS2/c1-3-21-23(19,24-4-2)25-9-13-17-14(18-22-13)20-8-10-5-6-11(15)7-12(10)16/h5-7H,3-4,8-9H2,1-2H3
InChIKey
XGNIXVTVPNSKIZ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(SCc1onc(n1)OCc1ccc(cc1Cl)Cl)SCC
Isomeric Smiles
n1c(onc1OCc1c(cc(cc1)Cl)Cl)CSP(=O)(SCC)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.6949763
LogD (pH = 7.4)
4.6949763
Log P
4.6949763
Molar Refractivity
105.7253
Polarizability
40.914867
Polar Surface Area
74.45
Rotatable Bonds
10
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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