4-amino-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C17H11N5O3Br2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-amino-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C17H11N5O3Br2Cl2
Smiles	Nc1nonc1C(N/N=C\c1cc(Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C17H11Br2Cl2N5O3/c18-10-3-9(6-23-24-17(27)14-16(22)26-29-25-14)15(12(19)4-10)28-7-8-1-2-11(20)5-13(8)21/h1-6H,7H2,(H2,22,26)(H,24,27)
InChIK	CWUYGTAXQDMQRT-UHFFFAOYSA-N
TotalMolweight	564.02
Molweight	564.02
MonoisotopicMass	560.860566
CLogP	5.4515
CLogS	-7.07
H Acceptors	8
H Donors	2
TotalSurfaceArea	334.34
Relative PSA	0.29111
PolarSurfaceArea	115.63
Druglikeness	4.2105
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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1 - 4-amino-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

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