1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]triazole-4-carboxamide

Formula:C19H13N8O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C19H13N8O4Br
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2Br)=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H13BrN8O4/c20-12-4-1-10(2-5-12)8-22-24-19(29)15-16(11-3-6-13-14(7-11)31-9-30-13)28(27-23-15)18-17(21)25-32-26-18/h1-8H,9H2,(H2,21,25)(H,24,29)
InChIK	IFJODLJPRJBOJK-UHFFFAOYSA-N
TotalMolweight	497.268
Molweight	497.268
MonoisotopicMass	496.024313
CLogP	4.2822
CLogS	-4.751
H Acceptors	12
H Donors	2
TotalSurfaceArea	327.85
Relative PSA	0.41525
PolarSurfaceArea	155.57
Druglikeness	0.087494
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]triazole-4-carboxamide

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