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

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

MolName	(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C18H9N2BrCl2S
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H9BrCl2N2S/c19-14-3-1-2-12(7-14)17-10-24-18(23-17)13(9-22)6-11-4-5-15(20)8-16(11)21/h1-8,10H
InChIK	BAOQTFRZOIKDER-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	high
Reproductive Effective	none
Irritant	high
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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