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

Formula:C22H15N8O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C22H15N8O3Br
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccc(-c(cc3)ccc3Br)o2)=O)c1-c1ccccc1
InChI	InChI=1S/C22H15BrN8O3/c23-15-8-6-13(7-9-15)17-11-10-16(33-17)12-25-27-22(32)18-19(14-4-2-1-3-5-14)31(30-26-18)21-20(24)28-34-29-21/h1-12H,(H2,24,28)(H,27,32)
InChIK	NFDMZIQAOHHRFB-UHFFFAOYSA-N
TotalMolweight	519.318
Molweight	519.318
MonoisotopicMass	518.045048
CLogP	5.1097
CLogS	-5.5
H Acceptors	11
H Donors	2
TotalSurfaceArea	357.04
Relative PSA	0.36481
PolarSurfaceArea	150.25
Druglikeness	1.9654
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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

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