(5E)-1-(4-chlorophenyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C28H19N2O4Cl Mutagenic:low Tumorigenic:high Reproductive Effective:high (5E)-1-(4-chlorophenyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(4-chlorophenyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C28H19N2O4Cl
Smiles	O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C\c(cccc2)c2OCc2cccc3ccccc23)NC1=O
InChI	InChI=1S/C28H19ClN2O4/c29-21-12-14-22(15-13-21)31-27(33)24(26(32)30-28(31)34)16-19-7-2-4-11-25(19)35-17-20-9-5-8-18-6-1-3-10-23(18)20/h1-16H,17H2,(H,30,32,34)
InChIK	IMOWYUACIIXSAS-UHFFFAOYSA-N
TotalMolweight	482.922
Molweight	482.922
MonoisotopicMass	482.103335
CLogP	5.3039
CLogS	-7.57
H Acceptors	6
H Donors	1
TotalSurfaceArea	352.78
Relative PSA	0.18178
PolarSurfaceArea	75.71
Druglikeness	4.5759
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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