1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide

Formula:C18H12N10O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C18H12N10O6
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc([N+]([O-])=O)c2)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H12N10O6/c19-16-17(24-34-23-16)26-15(11-4-6-12(7-5-11)27(30)31)14(21-25-26)18(29)22-20-9-10-2-1-3-13(8-10)28(32)33/h1-9H,(H2,19,23)(H,22,29)
InChIK	ZVJDZRCGYCIBDM-UHFFFAOYSA-N
TotalMolweight	464.357
Molweight	464.357
MonoisotopicMass	464.09413
CLogP	1.6024
CLogS	-4.126
H Acceptors	16
H Donors	2
TotalSurfaceArea	336.3
Relative PSA	0.52626
PolarSurfaceArea	228.75
Druglikeness	-3.0921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	2
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide

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