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

Formula:C24H15N2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-phenylphenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-phenylphenyl)prop-2-enenitrile
MolecularFormula	C24H15N2BrS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C24H15BrN2S/c25-22-12-10-20(11-13-22)23-16-28-24(27-23)21(15-26)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-14,16H
InChIK	ZVCBJOIZDWXSIV-UHFFFAOYSA-N
TotalMolweight	443.367
Molweight	443.367
MonoisotopicMass	442.013929
CLogP	6.2973
CLogS	-7.357
H Acceptors	2
TotalSurfaceArea	312.29
Relative PSA	0.14374
PolarSurfaceArea	64.92
Druglikeness	-3.4405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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