(5Z)-1-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

Formula:C21H12N2O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (5Z)-1-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H12N2O3Cl2
Smiles	O=C(/C(/C(N1c(cc2)cc(Cl)c2Cl)=O)=C/c2cccc3ccccc23)NC1=O
InChI	InChI=1S/C21H12Cl2N2O3/c22-17-9-8-14(11-18(17)23)25-20(27)16(19(26)24-21(25)28)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,24,26,28)
InChIK	ZSEWHPJWHBLJOP-UHFFFAOYSA-N
TotalMolweight	411.243
Molweight	411.243
MonoisotopicMass	410.022497
CLogP	4.5618
CLogS	-6.965
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.68
Relative PSA	0.19014
PolarSurfaceArea	66.48
Druglikeness	4.7494
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Amides	2
StereoCon

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