2-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

Formula:C16H12N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C16H12N3O3Br
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c(cccc2)c2Br)=O)cccc1)=O
InChI	InChI=1S/C16H12BrN3O3/c17-14-9-3-2-8-13(14)16(21)19-18-11-5-7-12-6-1-4-10-15(12)20(22)23/h1-11H,(H,19,21)
InChIK	CGDPLEUDJHAJJJ-UHFFFAOYSA-N
TotalMolweight	374.193
Molweight	374.193
MonoisotopicMass	373.006203
CLogP	3.0235
CLogS	-5.307
H Acceptors	6
H Donors	1
TotalSurfaceArea	255.79
Relative PSA	0.25971
PolarSurfaceArea	87.28
Druglikeness	-2.5095
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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

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