Molecule

ID:96652

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂F₃N₂O₃PS₂
Molecular Mass
466.4778506
Exact Mass
466.07615586
Charge
0
InChI
InChI=1S/C18H22F3N2O3PS2/c1-4-24-27(28,25-5-2)26-16-11-15(12-29-6-3)22-17(23-16)13-7-9-14(10-8-13)18(19,20)21/h7-11H,4-6,12H2,1-3H3
InChIKey
NYZNHGHLFSYJQQ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(Oc1cc(CSCC)nc(n1)c1ccc(cc1)C(F)(F)F)OCC
Isomeric Smiles
n1c(cc(nc1c1ccc(cc1)C(F)(F)F)CSCC)OP(=S)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.5146694
LogD (pH = 7.4)
6.51487
Log P
6.514873
Molar Refractivity
125.5966
Polarizability
44.551666
Polar Surface Area
53.47
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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