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

Formula:C18H10N2ClFS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H10N2ClFS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C18H10ClFN2S/c19-16-4-2-1-3-13(16)9-14(10-21)18-22-17(11-23-18)12-5-7-15(20)8-6-12/h1-9,11H
InChIK	LQZUUDYVPUZUAE-UHFFFAOYSA-N
TotalMolweight	340.808
Molweight	340.808
MonoisotopicMass	340.023723
CLogP	4.6197
CLogS	-5.487
H Acceptors	2
TotalSurfaceArea	255.67
Relative PSA	0.17558
PolarSurfaceArea	64.92
Druglikeness	-2.9418
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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