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

Formula:C18H9N2Cl2FS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H9N2Cl2FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H9Cl2FN2S/c19-14-4-1-12(16(20)8-14)7-13(9-22)18-23-17(10-24-18)11-2-5-15(21)6-3-11/h1-8,10H
InChIK	CLFUMIMMCAXGNB-UHFFFAOYSA-N
TotalMolweight	375.253
Molweight	375.253
MonoisotopicMass	373.98475
CLogP	5.2257
CLogS	-6.223
H Acceptors	2
TotalSurfaceArea	271.09
Relative PSA	0.16559
PolarSurfaceArea	64.92
Druglikeness	-2.9418
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
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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