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

Formula:C24H16N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile
MolecularFormula	C24H16N3OBrS
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C\Nc(cc1)ccc1Oc1ccccc1
InChI	InChI=1S/C24H16BrN3OS/c25-19-6-4-5-17(13-19)23-16-30-24(28-23)18(14-26)15-27-20-9-11-22(12-10-20)29-21-7-2-1-3-8-21/h1-13,15-16,27H
InChIK	CEAYUGAXBVDYSC-UHFFFAOYSA-N
TotalMolweight	474.381
Molweight	474.381
MonoisotopicMass	473.019743
CLogP	5.2044
CLogS	-7.514
H Acceptors	4
H Donors	1
TotalSurfaceArea	333.75
Relative PSA	0.1988
PolarSurfaceArea	86.18
Druglikeness	-3.5652
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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