4-amino-N-[(Z)-(4,5-dibromothiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C8H5N5O2Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-(4,5-dibromothiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.

MolName	4-amino-N-[(Z)-(4,5-dibromothiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C8H5N5O2Br2S
Smiles	Nc1nonc1C(N/N=C\c(s1)cc(Br)c1Br)=O
InChI	InChI=1S/C8H5Br2N5O2S/c9-4-1-3(18-6(4)10)2-12-13-8(16)5-7(11)15-17-14-5/h1-2H,(H2,11,15)(H,13,16)
InChIK	MOJWCWTYARLMDM-UHFFFAOYSA-N
TotalMolweight	395.035
Molweight	395.035
MonoisotopicMass	392.853067
CLogP	2.9627
CLogS	-4.284
H Acceptors	7
H Donors	2
TotalSurfaceArea	215.92
Relative PSA	0.49875
PolarSurfaceArea	134.64
Druglikeness	1.914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	2
StereoCon

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1 - 4-amino-N-[(Z)-(4,5-dibromothiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(Z)-(4,5-dibromothiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

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