2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C17H13N3O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C17H13N3O4BrCl
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1)=O
InChI	InChI=1S/C17H13BrClN3O4/c18-15-10-13(19)5-8-16(15)26-11-17(23)21-20-9-1-2-12-3-6-14(7-4-12)22(24)25/h1-10H,11H2,(H,21,23)
InChIK	JLXADTCOWJTARI-UHFFFAOYSA-N
TotalMolweight	438.664
Molweight	438.664
MonoisotopicMass	436.977795
CLogP	3.2044
CLogS	-5.823
H Acceptors	7
H Donors	1
TotalSurfaceArea	294.97
Relative PSA	0.25911
PolarSurfaceArea	96.51
Druglikeness	-2.5774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73077
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

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