4-N,5-N-bis[(Z)-benzylideneamino]-1-(4-nitrophenyl)triazole-4,5-dicarboxamide

Formula:C24H18N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-N,5-N-bis[(Z)-benzylideneamino]-1-(4-nitrophenyl)triazole-4,5-dicarboxamide is not a drug-like molecule.

MolName	4-N,5-N-bis[(Z)-benzylideneamino]-1-(4-nitrophenyl)triazole-4,5-dicarboxamide
MolecularFormula	C24H18N8O4
Smiles	[O-][N+](c(cc1)ccc1-n1nnc(C(N/N=C\c2ccccc2)=O)c1C(N/N=C\c1ccccc1)=O)=O
InChI	InChI=1S/C24H18N8O4/c33-23(28-25-15-17-7-3-1-4-8-17)21-22(24(34)29-26-16-18-9-5-2-6-10-18)31(30-27-21)19-11-13-20(14-12-19)32(35)36/h1-16H,(H,28,33)(H,29,34)
InChIK	VMQQWFIGPXLBMC-UHFFFAOYSA-N
TotalMolweight	482.459
Molweight	482.459
MonoisotopicMass	482.145102
CLogP	2.7444
CLogS	-6.058
H Acceptors	12
H Donors	2
TotalSurfaceArea	370.87
Relative PSA	0.3539
PolarSurfaceArea	159.45
Druglikeness	-3.7343
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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