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

Formula:C21H14N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C21H14N8O4
Smiles	Nc1nonc1-n1nnc(C(N/N=C\C2=COc(cccc3)c3C2=O)=O)c1-c1ccccc1
InChI	InChI=1S/C21H14N8O4/c22-19-20(27-33-26-19)29-17(12-6-2-1-3-7-12)16(24-28-29)21(31)25-23-10-13-11-32-15-9-5-4-8-14(15)18(13)30/h1-11H,(H2,22,26)(H,25,31)
InChIK	KDUSTSPFQCDUQQ-UHFFFAOYSA-N
TotalMolweight	442.394
Molweight	442.394
MonoisotopicMass	442.113802
CLogP	2.563
CLogS	-3.756
H Acceptors	12
H Donors	2
TotalSurfaceArea	327.92
Relative PSA	0.42443
PolarSurfaceArea	163.41
Druglikeness	2.3197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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

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