N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide

Formula:C12H10N5O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide is a drug-like molecule.

MolName	N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
MolecularFormula	C12H10N5O3Br
Smiles	O=C(CC(C(N1)=O)=NNC1=O)N/N=C/c(cc1)ccc1Br
InChI	InChI=1S/C12H10BrN5O3/c13-8-3-1-7(2-4-8)6-14-17-10(19)5-9-11(20)15-12(21)18-16-9/h1-4,6H,5H2,(H,17,19)(H2,15,18,20,21)
InChIK	KGLFKVBVCAGPFG-UHFFFAOYSA-N
TotalMolweight	352.147
Molweight	352.147
MonoisotopicMass	350.996701
CLogP	1.1988
CLogS	-4.195
H Acceptors	8
H Donors	3
TotalSurfaceArea	227.51
Relative PSA	0.42425
PolarSurfaceArea	112.02
Druglikeness	5.2401
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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