(E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

Formula:C23H13N2F3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C23H13N2F3S
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C23H13F3N2S/c24-23(25,26)20-11-4-2-7-16(20)12-17(13-27)22-28-21(14-29-22)19-10-5-8-15-6-1-3-9-18(15)19/h1-12,14H
InChIK	LFAPWPHXTWRMNG-UHFFFAOYSA-N
TotalMolweight	406.43
Molweight	406.43
MonoisotopicMass	406.075152
CLogP	5.9556
CLogS	-6.821
H Acceptors	2
TotalSurfaceArea	297.96
Relative PSA	0.15066
PolarSurfaceArea	64.92
Druglikeness	-8.8405
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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