[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate

Formula:C26H18N8O5BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
MolecularFormula	C26H18N8O5BrF
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc(cc2)Br)c2OC(c2ccccc2)=O)=O)c1COc(cc1)ccc1F
InChI	InChI=1S/C26H18BrFN8O5/c27-17-6-11-21(40-26(38)15-4-2-1-3-5-15)16(12-17)13-30-32-25(37)22-20(14-39-19-9-7-18(28)8-10-19)36(35-31-22)24-23(29)33-41-34-24/h1-13H,14H2,(H2,29,33)(H,32,37)
InChIK	GMYGIGFEFJGDAX-UHFFFAOYSA-N
TotalMolweight	621.382
Molweight	621.382
MonoisotopicMass	620.056756
CLogP	5.354
CLogS	-5.411
H Acceptors	13
H Donors	2
TotalSurfaceArea	425.21
Relative PSA	0.35084
PolarSurfaceArea	172.64
Druglikeness	-1.543
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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1 - [2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate | 2 - [2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate

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