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

Formula:C25H17N8O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-5-bromophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-5-bromophenyl] benzoate
MolecularFormula	C25H17N8O4Br
Smiles	Nc1nonc1-n1nnc(-c2ccccc2)c1C(N/N=C\c(ccc(Br)c1)c1OC(c1ccccc1)=O)=O
InChI	InChI=1S/C25H17BrN8O4/c26-18-12-11-17(19(13-18)37-25(36)16-9-5-2-6-10-16)14-28-30-24(35)21-20(15-7-3-1-4-8-15)29-33-34(21)23-22(27)31-38-32-23/h1-14H,(H2,27,31)(H,30,35)
InChIK	WPFMMAFIOGECKE-UHFFFAOYSA-N
TotalMolweight	573.366
Molweight	573.366
MonoisotopicMass	572.055613
CLogP	5.6013
CLogS	-5.51
H Acceptors	12
H Donors	2
TotalSurfaceArea	395.1
Relative PSA	0.35227
PolarSurfaceArea	163.41
Druglikeness	-0.044698
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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

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