(E)-1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylprop-2-en-1-one

Formula:C22H18NOFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C22H18NOFS
Smiles	O=C(/C=C/c1ccccc1)N(CCc1c2ccs1)C2c(cc1)ccc1F
InChI	InChI=1S/C22H18FNOS/c23-18-9-7-17(8-10-18)22-19-13-15-26-20(19)12-14-24(22)21(25)11-6-16-4-2-1-3-5-16/h1-11,13,15,22H,12,14H2/t22-/m1/s1
InChIK	LPEOTMDUWZKOAA-JOCHJYFZSA-N
TotalMolweight	363.455
Molweight	363.455
MonoisotopicMass	363.109312
CLogP	5.3036
CLogS	-4.885
H Acceptors	2
TotalSurfaceArea	276.14
Relative PSA	0.13381
PolarSurfaceArea	48.55
Druglikeness	2.1995
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon	racemate

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1 - (E)-1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylprop-2-en-1-one

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