2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide

Formula:C13H9N3O4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
MolecularFormula	C13H9N3O4BrClS
Smiles	[O-][N+](c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)s1)=O
InChI	InChI=1S/C13H9BrClN3O4S/c14-10-5-8(15)1-3-11(10)22-7-12(19)17-16-6-9-2-4-13(23-9)18(20)21/h1-6H,7H2,(H,17,19)
InChIK	VUBZUUSHDFIBJF-UHFFFAOYSA-N
TotalMolweight	418.654
Molweight	418.654
MonoisotopicMass	416.918565
CLogP	3.2423
CLogS	-5.691
H Acceptors	7
H Donors	1
TotalSurfaceArea	264.41
Relative PSA	0.36606
PolarSurfaceArea	124.75
Druglikeness	-1.3755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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