2,4,6-trichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline

Formula:C13H9N2O2Cl3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:low 2,4,6-trichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline is not a drug-like molecule.

MolName	2,4,6-trichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline
MolecularFormula	C13H9N2O2Cl3S2
Smiles	O=S(CC1)(c(scc2)c2/C1=N\Nc(c(Cl)cc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C13H9Cl3N2O2S2/c14-7-5-9(15)12(10(16)6-7)18-17-11-2-4-22(19,20)13-8(11)1-3-21-13/h1,3,5-6,18H,2,4H2
InChIK	WRVHSCJOLVWSBX-UHFFFAOYSA-N
TotalMolweight	395.717
Molweight	395.717
MonoisotopicMass	393.917099
CLogP	5.5196
CLogS	-6.099
H Acceptors	4
H Donors	1
TotalSurfaceArea	252.25
Relative PSA	0.28507
PolarSurfaceArea	95.15
Druglikeness	-2.2978
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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1 - 2,4,6-trichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline

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