4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline

Formula:C20H12NOCl2F3S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.

MolName	4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline
MolecularFormula	C20H12NOCl2F3S
Smiles	FC(Oc(cc12)ccc1nc(/C=C/c(ccc(Cl)c1)c1Cl)c1c2SCC1)(F)F
InChI	InChI=1S/C20H12Cl2F3NOS/c21-12-3-1-11(16(22)9-12)2-5-17-14-7-8-28-19(14)15-10-13(27-20(23,24)25)4-6-18(15)26-17/h1-6,9-10H,7-8H2
InChIK	ZOSKPAZPSRBDCU-UHFFFAOYSA-N
TotalMolweight	442.287
Molweight	442.287
MonoisotopicMass	440.996872
CLogP	6.3951
CLogS	-8.106
H Acceptors	2
TotalSurfaceArea	294.69
Relative PSA	0.13051
PolarSurfaceArea	47.42
Druglikeness	-8.7825
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline | 2 - 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline

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