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

Formula:C18H9N3Cl2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-difluoroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-difluoroanilino)prop-2-enenitrile
MolecularFormula	C18H9N3Cl2F2S
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\Nc(ccc(F)c1)c1F
InChI	InChI=1S/C18H9Cl2F2N3S/c19-11-1-3-13(14(20)5-11)17-9-26-18(25-17)10(7-23)8-24-16-4-2-12(21)6-15(16)22/h1-6,8-9,24H
InChIK	NYSLGZILYSHNQG-UHFFFAOYSA-N
TotalMolweight	408.258
Molweight	408.258
MonoisotopicMass	406.986227
CLogP	4.4972
CLogS	-6.483
H Acceptors	3
H Donors	1
TotalSurfaceArea	288.9
Relative PSA	0.19505
PolarSurfaceArea	76.95
Druglikeness	-2.9692
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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

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