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

Formula:C18H11N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(1,3-benzodioxol-5-yl)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(1,3-benzodioxol-5-yl)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C18H11N2O6Cl
Smiles	Oc(ccc(/C=C(\C(NC(N1c(cc2)cc3c2OCO3)=O)=O)/C1=O)c1)c1Cl
InChI	InChI=1S/C18H11ClN2O6/c19-12-6-9(1-3-13(12)22)5-11-16(23)20-18(25)21(17(11)24)10-2-4-14-15(7-10)27-8-26-14/h1-7,22H,8H2,(H,20,23,25)
InChIK	PFPHTZUQXVGUFH-UHFFFAOYSA-N
TotalMolweight	386.746
Molweight	386.746
MonoisotopicMass	386.030565
CLogP	2.5271
CLogS	-5.038
H Acceptors	8
H Donors	2
TotalSurfaceArea	261.27
Relative PSA	0.33387
PolarSurfaceArea	105.17
Druglikeness	4.7258
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	2
StereoCon

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