(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile

Formula:C20H11N2OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile
MolecularFormula	C20H11N2OFS
Smiles	N#C/C(/c1nc(-c2cc(cccc3)c3o2)cs1)=C\c(cc1)ccc1F
InChI	InChI=1S/C20H11FN2OS/c21-16-7-5-13(6-8-16)9-15(11-22)20-23-17(12-25-20)19-10-14-3-1-2-4-18(14)24-19/h1-10,12H
InChIK	PQHWEUWLLBBEDR-UHFFFAOYSA-N
TotalMolweight	346.384
Molweight	346.384
MonoisotopicMass	346.057611
CLogP	4.5563
CLogS	-5.602
H Acceptors	3
TotalSurfaceArea	264.54
Relative PSA	0.22303
PolarSurfaceArea	78.06
Druglikeness	-3.093
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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