4-bromo-N-[(Z)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]benzamide

Formula:C16H11N3O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(Z)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(Z)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C16H11N3O3BrCl
Smiles	[O-][N+](c1ccc(/C=C(/C=N\NC(c(cc2)ccc2Br)=O)\Cl)cc1)=O
InChI	InChI=1S/C16H11BrClN3O3/c17-13-5-3-12(4-6-13)16(22)20-19-10-14(18)9-11-1-7-15(8-2-11)21(23)24/h1-10H,(H,20,22)
InChIK	DDRPUADHFDHHHG-UHFFFAOYSA-N
TotalMolweight	408.638
Molweight	408.638
MonoisotopicMass	406.96723
CLogP	3.4851
CLogS	-5.998
H Acceptors	6
H Donors	1
TotalSurfaceArea	269.42
Relative PSA	0.24657
PolarSurfaceArea	87.28
Druglikeness	-2.2562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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