N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline

Formula:C15H10N2BrCl3 Mutagenic:high Tumorigenic:none Reproductive Effective:high N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline is not a drug-like molecule.

MolName	N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline
MolecularFormula	C15H10N2BrCl3
Smiles	Clc(cc1Cl)cc(Cl)c1N/N=C\C=C(\c1ccccc1)/Br
InChI	InChI=1S/C15H10BrCl3N2/c16-12(10-4-2-1-3-5-10)6-7-20-21-15-13(18)8-11(17)9-14(15)19/h1-9,21H
InChIK	KUBRODZSJZTFOF-UHFFFAOYSA-N
TotalMolweight	404.521
Molweight	404.521
MonoisotopicMass	401.90929
CLogP	7.0869
CLogS	-4.94
H Acceptors	2
H Donors	1
TotalSurfaceArea	258.84
Relative PSA	0.088742
PolarSurfaceArea	24.39
Druglikeness	-2.791
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	5
StereoCon

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