N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-(2,4,6-tribromophenoxy)acetamide

Formula:C17H12N3O4Br3 Mutagenic:low Tumorigenic:none Reproductive Effective:high N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-(2,4,6-tribromophenoxy)acetamide
MolecularFormula	C17H12N3O4Br3
Smiles	[O-][N+](c1cccc(/C=C/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)c1)=O
InChI	InChI=1S/C17H12Br3N3O4/c18-12-8-14(19)17(15(20)9-12)27-10-16(24)22-21-6-2-4-11-3-1-5-13(7-11)23(25)26/h1-9H,10H2,(H,22,24)
InChIK	RNCNBEVVCZIPBF-UHFFFAOYSA-N
TotalMolweight	562.011
Molweight	562.011
MonoisotopicMass	558.83779
CLogP	4.0488
CLogS	-6.755
H Acceptors	7
H Donors	1
TotalSurfaceArea	316.81
Relative PSA	0.24125
PolarSurfaceArea	96.51
Druglikeness	-2.6267
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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