N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline

Formula:C16H8N2OBrF5 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.

MolName	N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
MolecularFormula	C16H8N2OBrF5
Smiles	C#CCOc(cc1)c(/C=N\Nc(c(F)c(c(F)c2F)F)c2F)cc1Br
InChI	InChI=1S/C16H8BrF5N2O/c1-2-5-25-10-4-3-9(17)6-8(10)7-23-24-16-14(21)12(19)11(18)13(20)15(16)22/h1,3-4,6-7,24H,5H2
InChIK	FRFPTPOGRHDVCP-UHFFFAOYSA-N
TotalMolweight	419.147
Molweight	419.147
MonoisotopicMass	417.974014
CLogP	6.0273
CLogS	-6.195
H Acceptors	3
H Donors	1
TotalSurfaceArea	267.19
Relative PSA	0.1234
PolarSurfaceArea	33.62
Druglikeness	-1.4725
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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1 - N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline | 2 - N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline

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