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

Formula:C18H9N2BrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromophenyl)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(3-bromophenyl)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H9N2BrCl2S
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\c1cccc(Br)c1
InChI	InChI=1S/C18H9BrCl2N2S/c19-13-3-1-2-11(7-13)6-12(9-22)18-23-17(10-24-18)15-5-4-14(20)8-16(15)21/h1-8,10H
InChIK	NNTJXVFJCLICRV-UHFFFAOYSA-N
TotalMolweight	436.159
Molweight	436.159
MonoisotopicMass	433.904683
CLogP	5.8501
CLogS	-6.743
H Acceptors	2
TotalSurfaceArea	283.37
Relative PSA	0.15841
PolarSurfaceArea	64.92
Druglikeness	-3.3918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
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
Aromatic Nitrogens	1
StereoCon

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

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