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

Formula:C14H9N2O2Cl2F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-dichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]-4-(trifluoromethyl)aniline is not a drug-like molecule.

MolName	2,6-dichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]-4-(trifluoromethyl)aniline
MolecularFormula	C14H9N2O2Cl2F3S2
Smiles	O=S(CC1)(c(scc2)c2/C1=N\Nc(c(Cl)cc(C(F)(F)F)c1)c1Cl)=O
InChI	InChI=1S/C14H9Cl2F3N2O2S2/c15-9-5-7(14(17,18)19)6-10(16)12(9)21-20-11-2-4-25(22,23)13-8(11)1-3-24-13/h1,3,5-6,21H,2,4H2
InChIK	NWJZVZXSCXCIIX-UHFFFAOYSA-N
TotalMolweight	429.269
Molweight	429.269
MonoisotopicMass	427.943456
CLogP	5.7619
CLogS	-6.141
H Acceptors	4
H Donors	1
TotalSurfaceArea	266.29
Relative PSA	0.27004
PolarSurfaceArea	95.15
Druglikeness	-7.9219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	6
StereoCon

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

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