C15H6NOCl2F5 | Cheminformatics

(Z)-3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide

Formula:C15H6NOCl2F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide is a drug-like molecule.

MolName(Z)-3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
MolecularFormulaC15H6NOCl2F5
SmilesO=C(/C=C\c(cc1)cc(Cl)c1Cl)Nc(c(F)c(c(F)c1F)F)c1F
InChIInChI=1S/C15H6Cl2F5NO/c16-7-3-1-6(5-8(7)17)2-4-9(24)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-5H,(H,23,24)
InChIKFPUOLHVGNVOHHI-UHFFFAOYSA-N
TotalMolweight382.115
Molweight382.115
MonoisotopicMass380.974658
CLogP4.8523
CLogS-6.54
H Acceptors2
H Donors1
TotalSurfaceArea251.32
Relative PSA0.097485
PolarSurfaceArea29.1
Druglikeness-1.7029
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionspolyhalo aromatic ring
Shape Index0.58333
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms4
Amides1
StereoCon

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