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

Formula:C17H14N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-bromophenyl)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(4-bromophenyl)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C17H14N3O3Br
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(Cc(cc2)ccc2Br)=O)cc1)=O
InChI	InChI=1S/C17H14BrN3O3/c18-15-7-3-14(4-8-15)12-17(22)20-19-11-1-2-13-5-9-16(10-6-13)21(23)24/h1-11H,12H2,(H,20,22)
InChIK	BITLVTJYZQEXCN-UHFFFAOYSA-N
TotalMolweight	388.22
Molweight	388.22
MonoisotopicMass	387.021853
CLogP	3.0216
CLogS	-5.272
H Acceptors	6
H Donors	1
TotalSurfaceArea	269.55
Relative PSA	0.24645
PolarSurfaceArea	87.28
Druglikeness	-2.514
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.75
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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