4-[(E)-2-(4-nitrophenyl)ethenyl]-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline

Formula:C20H13N2O2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(E)-2-(4-nitrophenyl)ethenyl]-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline is a drug-like molecule.

MolName	4-[(E)-2-(4-nitrophenyl)ethenyl]-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline
MolecularFormula	C20H13N2O2F3S
Smiles	[O-][N+](c1ccc(/C=C/c2nc3c(C(F)(F)F)cccc3c3c2CCS3)cc1)=O
InChI	InChI=1S/C20H13F3N2O2S/c21-20(22,23)16-3-1-2-15-18(16)24-17(14-10-11-28-19(14)15)9-6-12-4-7-13(8-5-12)25(26)27/h1-9H,10-11H2
InChIK	PJYXZRMIZGKZMV-UHFFFAOYSA-N
TotalMolweight	402.395
Molweight	402.395
MonoisotopicMass	402.064982
CLogP	4.0108
CLogS	-6.849
H Acceptors	4
TotalSurfaceArea	277.52
Relative PSA	0.21216
PolarSurfaceArea	84.01
Druglikeness	-13.229
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
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	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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