1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(3-nitrophenyl)ethenyl]-5-thiophen-2-yltriazole-4-carbohydrazide

Formula:C17H13N9O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(3-nitrophenyl)ethenyl]-5-thiophen-2-yltriazole-4-carbohydrazide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(3-nitrophenyl)ethenyl]-5-thiophen-2-yltriazole-4-carbohydrazide
MolecularFormula	C17H13N9O4S
Smiles	C=C(c1cc([N+]([O-])=O)ccc1)NNC(c1c(-c2cccs2)n(-c2nonc2N)nn1)=O
InChI	InChI=1S/C17H13N9O4S/c1-9(10-4-2-5-11(8-10)26(28)29)19-21-17(27)13-14(12-6-3-7-31-12)25(24-20-13)16-15(18)22-30-23-16/h2-8,19H,1H2,(H2,18,22)(H,21,27)
InChIK	BWKLOMRGUUDHPA-UHFFFAOYSA-N
TotalMolweight	439.415
Molweight	439.415
MonoisotopicMass	439.081121
CLogP	1.4762
CLogS	-3.501
H Acceptors	13
H Donors	3
TotalSurfaceArea	318.02
Relative PSA	0.52472
PolarSurfaceArea	210.84
Druglikeness	-5.9584
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(3-nitrophenyl)ethenyl]-5-thiophen-2-yltriazole-4-carbohydrazide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(3-nitrophenyl)ethenyl]-5-thiophen-2-yltriazole-4-carbohydrazide

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