(5E)-1-(1,3-benzodioxol-5-yl)-5-[(2-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C18H11N2O5I Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(1,3-benzodioxol-5-yl)-5-[(2-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(1,3-benzodioxol-5-yl)-5-[(2-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C18H11N2O5I
Smiles	O=C(/C(/C(N1c(cc2)cc3c2OCO3)=O)=C\c(cccc2)c2I)NC1=O
InChI	InChI=1S/C18H11IN2O5/c19-13-4-2-1-3-10(13)7-12-16(22)20-18(24)21(17(12)23)11-5-6-14-15(8-11)26-9-25-14/h1-8H,9H2,(H,20,22,24)
InChIK	QPZYJJJVLIIORU-UHFFFAOYSA-N
TotalMolweight	462.194
Molweight	462.194
MonoisotopicMass	461.971271
CLogP	2.7039
CLogS	-5.614
H Acceptors	7
H Donors	1
TotalSurfaceArea	265.78
Relative PSA	0.27891
PolarSurfaceArea	84.94
Druglikeness	5.0804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	2
StereoCon

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