1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide

Formula:C19H17N9O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide
MolecularFormula	C19H17N9O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccccc2)=O)c1CNc1ccccc1
InChI	InChI=1S/C19H17N9O2/c20-17-18(26-30-25-17)28-15(12-21-14-9-5-2-6-10-14)16(23-27-28)19(29)24-22-11-13-7-3-1-4-8-13/h1-11,21H,12H2,(H2,20,25)(H,24,29)
InChIK	TUEFEYQKYMUIJE-UHFFFAOYSA-N
TotalMolweight	403.405
Molweight	403.405
MonoisotopicMass	403.150521
CLogP	2.8145
CLogS	-2.835
H Acceptors	11
H Donors	3
TotalSurfaceArea	314.18
Relative PSA	0.40614
PolarSurfaceArea	149.14
Druglikeness	2.4123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
StereoCon

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