2,4,6-trichloro-N-[(E)-(9-chloro-6,6-dioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-4-ylidene)amino]aniline

Formula:C18H12N2O2Cl4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:low 2,4,6-trichloro-N-[(E)-(9-chloro-6,6-dioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-4-ylidene)amino]aniline is not a drug-like molecule.

MolName	2,4,6-trichloro-N-[(E)-(9-chloro-6,6-dioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-4-ylidene)amino]aniline
MolecularFormula	C18H12N2O2Cl4S2
Smiles	O=S(C1)(c(ccc(Cl)c2)c2C(SCC2)=C1/C2=N/Nc(c(Cl)cc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C18H12Cl4N2O2S2/c19-9-1-2-16-11(5-9)18-12(8-28(16,25)26)15(3-4-27-18)23-24-17-13(21)6-10(20)7-14(17)22/h1-2,5-7,24H,3-4,8H2
InChIK	JQBSHAROJGCULL-UHFFFAOYSA-N
TotalMolweight	494.249
Molweight	494.249
MonoisotopicMass	491.909426
CLogP	6.8832
CLogS	-6.089
H Acceptors	4
H Donors	1
TotalSurfaceArea	312.4
Relative PSA	0.221
PolarSurfaceArea	92.21
Druglikeness	-0.89421
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
StereoCon

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1 - 2,4,6-trichloro-N-[(E)-(9-chloro-6,6-dioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-4-ylidene)amino]aniline | 2 - 2,4,6-trichloro-N-[(E)-(9-chloro-6,6-dioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-4-ylidene)amino]aniline

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