N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-nitrobenzamide

Formula:C16H12N3O3Br Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-nitrobenzamide
MolecularFormula	C16H12N3O3Br
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C/C(/Br)=C/c1ccccc1)=O)=O
InChI	InChI=1S/C16H12BrN3O3/c17-14(10-12-4-2-1-3-5-12)11-18-19-16(21)13-6-8-15(9-7-13)20(22)23/h1-11H,(H,19,21)
InChIK	VXYZOBMXQNCYOW-UHFFFAOYSA-N
TotalMolweight	374.193
Molweight	374.193
MonoisotopicMass	373.006203
CLogP	2.8909
CLogS	-5.306
H Acceptors	6
H Donors	1
TotalSurfaceArea	254
Relative PSA	0.26154
PolarSurfaceArea	87.28
Druglikeness	-5.8602
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
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
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-nitrobenzamide | 2 - N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-nitrobenzamide

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