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

Formula:C25H18NOFS Mutagenic:high Tumorigenic:none Reproductive Effective:low 4-[(E)-2-(2-fluorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.

MolName	4-[(E)-2-(2-fluorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
MolecularFormula	C25H18NOFS
Smiles	Fc1c(/C=C/c(c2c(c3c4)SCC2)nc3ccc4Oc2ccccc2)cccc1
InChI	InChI=1S/C25H18FNOS/c26-22-9-5-4-6-17(22)10-12-23-20-14-15-29-25(20)21-16-19(11-13-24(21)27-23)28-18-7-2-1-3-8-18/h1-13,16H,14-15H2
InChIK	PWCKVUTZQHIIAB-UHFFFAOYSA-N
TotalMolweight	399.488
Molweight	399.488
MonoisotopicMass	399.109312
CLogP	5.5805
CLogS	-8.222
H Acceptors	2
TotalSurfaceArea	300.5
Relative PSA	0.12799
PolarSurfaceArea	47.42
Druglikeness	-2.2467
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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