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

Formula:C18H10N3Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluoroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluoroanilino)prop-2-enenitrile
MolecularFormula	C18H10N3Cl2FS
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\Nc1cc(F)ccc1
InChI	InChI=1S/C18H10Cl2FN3S/c19-12-4-5-15(16(20)6-12)17-10-25-18(24-17)11(8-22)9-23-14-3-1-2-13(21)7-14/h1-7,9-10,23H
InChIK	LQSJQYCDTHMXII-UHFFFAOYSA-N
TotalMolweight	390.268
Molweight	390.268
MonoisotopicMass	388.995649
CLogP	4.3964
CLogS	-6.169
H Acceptors	3
H Donors	1
TotalSurfaceArea	282.55
Relative PSA	0.19943
PolarSurfaceArea	76.95
Druglikeness	-2.9692
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
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-(3-fluoroanilino)prop-2-enenitrile | 2 - (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluoroanilino)prop-2-enenitrile

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