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

Formula:C16H11N9O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C16H11N9O4S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2[N+]([O-])=O)=O)c1-c1cccs1
InChI	InChI=1S/C16H11N9O4S/c17-14-15(22-29-21-14)24-13(11-6-3-7-30-11)12(19-23-24)16(26)20-18-8-9-4-1-2-5-10(9)25(27)28/h1-8H,(H2,17,21)(H,20,26)
InChIK	IEQQSZLGNMGFHE-UHFFFAOYSA-N
TotalMolweight	425.388
Molweight	425.388
MonoisotopicMass	425.065471
CLogP	2.5475
CLogS	-3.587
H Acceptors	13
H Donors	2
TotalSurfaceArea	308.57
Relative PSA	0.54095
PolarSurfaceArea	211.17
Druglikeness	-1.5346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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

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