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

Formula:C20H13NOF4S Mutagenic:high Tumorigenic:none Reproductive Effective:low 4-[(E)-2-(2-fluorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.

MolName	4-[(E)-2-(2-fluorophenyl)ethenyl]-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline
MolecularFormula	C20H13NOF4S
Smiles	FC(Oc(cc12)ccc1nc(/C=C/c(cccc1)c1F)c1c2SCC1)(F)F
InChI	InChI=1S/C20H13F4NOS/c21-16-4-2-1-3-12(16)5-7-17-14-9-10-27-19(14)15-11-13(26-20(22,23)24)6-8-18(15)25-17/h1-8,11H,9-10H2
InChIK	XHEKOUWQVZQTKA-UHFFFAOYSA-N
TotalMolweight	391.387
Molweight	391.387
MonoisotopicMass	391.065396
CLogP	5.2839
CLogS	-6.948
H Acceptors	2
TotalSurfaceArea	270.2
Relative PSA	0.14234
PolarSurfaceArea	47.42
Druglikeness	-8.9067
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
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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