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

Formula:C22H16N8O2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-phenyltriazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C22H16N8O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc3ccccc23)=O)c1-c1ccccc1
InChI	InChI=1S/C22H16N8O2/c23-20-21(28-32-27-20)30-19(15-8-2-1-3-9-15)18(25-29-30)22(31)26-24-13-16-11-6-10-14-7-4-5-12-17(14)16/h1-13H,(H2,23,27)(H,26,31)
InChIK	DOTBYDORXAVDAI-UHFFFAOYSA-N
TotalMolweight	424.423
Molweight	424.423
MonoisotopicMass	424.139622
CLogP	4.64
CLogS	-4.812
H Acceptors	10
H Donors	2
TotalSurfaceArea	323.56
Relative PSA	0.35894
PolarSurfaceArea	137.11
Druglikeness	1.9983
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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