2-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C17H13N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C17H13N3O4Cl2
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)cc1)=O
InChI	InChI=1S/C17H13Cl2N3O4/c18-13-5-8-16(15(19)10-13)26-11-17(23)21-20-9-1-2-12-3-6-14(7-4-12)22(24)25/h1-10H,11H2,(H,21,23)
InChIK	MRTXRJFFMLUZCA-UHFFFAOYSA-N
TotalMolweight	394.213
Molweight	394.213
MonoisotopicMass	393.028311
CLogP	3.0852
CLogS	-5.725
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.76
Relative PSA	0.26196
PolarSurfaceArea	96.51
Druglikeness	-0.78745
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73077
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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