(E)-3-(4-bromo-2-fluoroanilino)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C22H13N3BrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromo-2-fluoroanilino)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-bromo-2-fluoroanilino)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H13N3BrFS
Smiles	N#C/C(/c1nc(-c2cc3ccccc3cc2)cs1)=C\Nc(ccc(Br)c1)c1F
InChI	InChI=1S/C22H13BrFN3S/c23-18-7-8-20(19(24)10-18)26-12-17(11-25)22-27-21(13-28-22)16-6-5-14-3-1-2-4-15(14)9-16/h1-10,12-13,26H
InChIK	AMIXWHOWUOJGEK-UHFFFAOYSA-N
TotalMolweight	450.334
Molweight	450.334
MonoisotopicMass	448.999756
CLogP	5.104
CLogS	-7.137
H Acceptors	3
H Donors	1
TotalSurfaceArea	304.94
Relative PSA	0.18479
PolarSurfaceArea	76.95
Druglikeness	-4.8049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	1
StereoCon

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