1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[1-(3-hydroxyphenyl)ethenyl]triazole-4-carbohydrazide

Formula:C21H20N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[1-(3-hydroxyphenyl)ethenyl]triazole-4-carbohydrazide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[1-(3-hydroxyphenyl)ethenyl]triazole-4-carbohydrazide
MolecularFormula	C21H20N8O4
Smiles	CCOc(cc1)ccc1-c1c(C(NNC(c2cc(O)ccc2)=C)=O)nnn1-c1nonc1N
InChI	InChI=1S/C21H20N8O4/c1-3-32-16-9-7-13(8-10-16)18-17(24-28-29(18)20-19(22)26-33-27-20)21(31)25-23-12(2)14-5-4-6-15(30)11-14/h4-11,23,30H,2-3H2,1H3,(H2,22,26)(H,25,31)
InChIK	QSEIMGCRFYOQAY-UHFFFAOYSA-N
TotalMolweight	448.442
Molweight	448.442
MonoisotopicMass	448.160752
CLogP	2.3649
CLogS	-3.142
H Acceptors	12
H Donors	4
TotalSurfaceArea	340.78
Relative PSA	0.40845
PolarSurfaceArea	166.24
Druglikeness	-4.1174
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[1-(3-hydroxyphenyl)ethenyl]triazole-4-carbohydrazide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[1-(3-hydroxyphenyl)ethenyl]triazole-4-carbohydrazide

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