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

Formula:C17H11N6O5BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C17H11N6O5BrCl2
Smiles	Nc1nonc1C(N/N=C\c1cc(Br)cc([N+]([O-])=O)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C17H11BrCl2N6O5/c18-10-3-9(6-22-23-17(27)14-16(21)25-31-24-14)15(13(4-10)26(28)29)30-7-8-1-2-11(19)5-12(8)20/h1-6H,7H2,(H2,21,25)(H,23,27)
InChIK	LSUUSDCVEJAQKG-UHFFFAOYSA-N
TotalMolweight	530.121
Molweight	530.121
MonoisotopicMass	527.935134
CLogP	3.8047
CLogS	-6.696
H Acceptors	11
H Donors	2
TotalSurfaceArea	339.38
Relative PSA	0.37642
PolarSurfaceArea	161.45
Druglikeness	-0.85665
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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