2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide

Formula:C15H12N11O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
MolecularFormula	C15H12N11O3Br
Smiles	Nc1nonc1-c1nc(-c2nonc2N)nn1CC(N/N=C\c(cc1)ccc1Br)=O
InChI	InChI=1S/C15H12BrN11O3/c16-8-3-1-7(2-4-8)5-19-21-9(28)6-27-15(11-13(18)26-30-24-11)20-14(22-27)10-12(17)25-29-23-10/h1-5H,6H2,(H2,17,25)(H2,18,26)(H,21,28)
InChIK	YRNJFNUHSBQDIE-UHFFFAOYSA-N
TotalMolweight	474.238
Molweight	474.238
MonoisotopicMass	473.030795
CLogP	1.1988
CLogS	-4.528
H Acceptors	14
H Donors	3
TotalSurfaceArea	317.08
Relative PSA	0.52813
PolarSurfaceArea	202.05
Druglikeness	5.0333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	7
StereoCon

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1 - 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide | 2 - 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide

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