(5E)-1-(2,3-dichlorophenyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C23H14N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(2,3-dichlorophenyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(2,3-dichlorophenyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C23H14N2O3Cl2S
Smiles	O=C(/C(/C(N1c2cccc(Cl)c2Cl)=O)=C\c(cc2)ccc2Sc2ccccc2)NC1=O
InChI	InChI=1S/C23H14Cl2N2O3S/c24-18-7-4-8-19(20(18)25)27-22(29)17(21(28)26-23(27)30)13-14-9-11-16(12-10-14)31-15-5-2-1-3-6-15/h1-13H,(H,26,28,30)
InChIK	NNFPEVRAAXGHPJ-UHFFFAOYSA-N
TotalMolweight	469.347
Molweight	469.347
MonoisotopicMass	468.010217
CLogP	5.1885
CLogS	-7.145
H Acceptors	5
H Donors	1
TotalSurfaceArea	327.33
Relative PSA	0.2188
PolarSurfaceArea	91.78
Druglikeness	5.0375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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