(E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoro-6-pyrrolidin-1-ylphenyl)prop-2-enenitrile

Formula:C20H16N3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoro-6-pyrrolidin-1-ylphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoro-6-pyrrolidin-1-ylphenyl)prop-2-enenitrile
MolecularFormula	C20H16N3FS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(c(N1CCCC1)ccc1)c1F
InChI	InChI=1S/C20H16FN3S/c21-16-6-5-8-18(24-10-3-4-11-24)15(16)12-14(13-22)20-23-17-7-1-2-9-19(17)25-20/h1-2,5-9,12H,3-4,10-11H2
InChIK	QFNNJVKGXHPQBX-UHFFFAOYSA-N
TotalMolweight	349.432
Molweight	349.432
MonoisotopicMass	349.104895
CLogP	3.9316
CLogS	-4.929
H Acceptors	3
TotalSurfaceArea	266.93
Relative PSA	0.18147
PolarSurfaceArea	68.16
Druglikeness	-2.3233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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