N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide

Formula:C14H14N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
MolecularFormula	C14H14N6O5
Smiles	O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C14H14N6O5/c21-11(3-4-15-12-13(22)17-14(23)20-19-12)18-16-6-8-1-2-9-10(5-8)25-7-24-9/h1-2,5-6H,3-4,7H2,(H,15,19)(H,18,21)(H2,17,20,22,23)
InChIK	BDTBGWAPTOLOFI-UHFFFAOYSA-N
TotalMolweight	346.302
Molweight	346.302
MonoisotopicMass	346.102569
CLogP	-0.0896
CLogS	-3.917
H Acceptors	11
H Donors	4
TotalSurfaceArea	254.36
Relative PSA	0.50315
PolarSurfaceArea	142.51
Druglikeness	6.8284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	1
StereoCon

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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide

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