6-[(E)-2-(3-iodophenyl)ethenyl]-2H-1,2,4-triazine-3,5-dione

Formula:C11H8N3O2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3-iodophenyl)ethenyl]-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.

MolName	6-[(E)-2-(3-iodophenyl)ethenyl]-2H-1,2,4-triazine-3,5-dione
MolecularFormula	C11H8N3O2I
Smiles	O=C(C(/C=C/c1cccc(I)c1)=NN1)NC1=O
InChI	InChI=1S/C11H8IN3O2/c12-8-3-1-2-7(6-8)4-5-9-10(16)13-11(17)15-14-9/h1-6H,(H2,13,15,16,17)
InChIK	INPYGTBUBZJFMA-UHFFFAOYSA-N
TotalMolweight	341.104
Molweight	341.104
MonoisotopicMass	340.966125
CLogP	1.4487
CLogS	-4.08
H Acceptors	5
H Donors	2
TotalSurfaceArea	193.93
Relative PSA	0.31202
PolarSurfaceArea	70.56
Druglikeness	5.7226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Amides	1
StereoCon

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