(2Z,4E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile

Formula:C20H13N2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z,4E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile is not a drug-like molecule.

MolName	(2Z,4E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
MolecularFormula	C20H13N2BrS
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C/C=C/c1ccccc1
InChI	InChI=1S/C20H13BrN2S/c21-18-11-5-9-16(12-18)19-14-24-20(23-19)17(13-22)10-4-8-15-6-2-1-3-7-15/h1-12,14H
InChIK	BROBGCNORUDJJT-UHFFFAOYSA-N
TotalMolweight	393.307
Molweight	393.307
MonoisotopicMass	391.998279
CLogP	5.2947
CLogS	-5.583
H Acceptors	2
TotalSurfaceArea	279.03
Relative PSA	0.16088
PolarSurfaceArea	64.92
Druglikeness	-3.2695
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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