1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N'-[1-(3-nitrophenyl)ethenyl]triazole-4-carbohydrazide

Formula:C22H20N10O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N'-[1-(3-nitrophenyl)ethenyl]triazole-4-carbohydrazide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N'-[1-(3-nitrophenyl)ethenyl]triazole-4-carbohydrazide
MolecularFormula	C22H20N10O4
Smiles	C=C(c1cccc([N+]([O-])=O)c1)NNC(c1c(CN(CC2)c3c2cccc3)n(-c2nonc2N)nn1)=O
InChI	InChI=1S/C22H20N10O4/c1-13(15-6-4-7-16(11-15)32(34)35)24-26-22(33)19-18(31(29-25-19)21-20(23)27-36-28-21)12-30-10-9-14-5-2-3-8-17(14)30/h2-8,11,24H,1,9-10,12H2,(H2,23,27)(H,26,33)
InChIK	BPKYKGZNPCYGNC-UHFFFAOYSA-N
TotalMolweight	488.467
Molweight	488.467
MonoisotopicMass	488.1669
CLogP	1.2084
CLogS	-3.534
H Acceptors	14
H Donors	3
TotalSurfaceArea	360.16
Relative PSA	0.41665
PolarSurfaceArea	185.84
Druglikeness	-6.1246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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

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