N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-[(2,4-dichlorophenyl)methyl]oxamide

Formula:C17H12N3O4BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-[(2,4-dichlorophenyl)methyl]oxamide is a drug-like molecule.

MolName	N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-[(2,4-dichlorophenyl)methyl]oxamide
MolecularFormula	C17H12N3O4BrCl2
Smiles	O=C(C(N/N=C\c(cc1OCOc1c1)c1Br)=O)NCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H12BrCl2N3O4/c18-12-5-15-14(26-8-27-15)3-10(12)7-22-23-17(25)16(24)21-6-9-1-2-11(19)4-13(9)20/h1-5,7H,6,8H2,(H,21,24)(H,23,25)
InChIK	SCKHBDLZKAPSKG-UHFFFAOYSA-N
TotalMolweight	473.109
Molweight	473.109
MonoisotopicMass	470.938822
CLogP	3.9019
CLogS	-6.358
H Acceptors	7
H Donors	2
TotalSurfaceArea	299.69
Relative PSA	0.26864
PolarSurfaceArea	89.02
Druglikeness	2.1353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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