2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide

Formula:C13H9N3O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
MolecularFormula	C13H9N3O4Cl2S
Smiles	[O-][N+](c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)s1)=O
InChI	InChI=1S/C13H9Cl2N3O4S/c14-8-1-3-11(10(15)5-8)22-7-12(19)17-16-6-9-2-4-13(23-9)18(20)21/h1-6H,7H2,(H,17,19)
InChIK	KTDSZEWFIPIJRX-UHFFFAOYSA-N
TotalMolweight	374.203
Molweight	374.203
MonoisotopicMass	372.969081
CLogP	3.1231
CLogS	-5.593
H Acceptors	7
H Donors	1
TotalSurfaceArea	261.2
Relative PSA	0.37056
PolarSurfaceArea	124.75
Druglikeness	0.41454
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
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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