(Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile

Formula:C22H13N2FS Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
MolecularFormula	C22H13N2FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C/c1cccc2ccccc12
InChI	InChI=1S/C22H13FN2S/c23-19-10-8-16(9-11-19)21-14-26-22(25-21)18(13-24)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-12,14H
InChIK	RECSVLGYMJKOCK-UHFFFAOYSA-N
TotalMolweight	356.423
Molweight	356.423
MonoisotopicMass	356.078346
CLogP	5.2081
CLogS	-6.357
H Acceptors	2
TotalSurfaceArea	274.85
Relative PSA	0.16333
PolarSurfaceArea	64.92
Druglikeness	-2.9905
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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