2-(4-bromophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

Formula:C26H17NO3BrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-bromophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is not a drug-like molecule.

MolName	2-(4-bromophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
MolecularFormula	C26H17NO3BrF3
Smiles	OC(C(N(C1c(cc2)ccc2Br)c2cc(C(F)(F)F)ccc2)=O)=C1C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C26H17BrF3NO3/c27-19-12-10-17(11-13-19)23-22(21(32)14-9-16-5-2-1-3-6-16)24(33)25(34)31(23)20-8-4-7-18(15-20)26(28,29)30/h1-15,23,33H/t23-/m1/s1
InChIK	LTQHEFZECDKIKK-HSZRJFAPSA-N
TotalMolweight	528.323
Molweight	528.323
MonoisotopicMass	527.034389
CLogP	5.5135
CLogS	-6.315
H Acceptors	4
H Donors	1
TotalSurfaceArea	341.44
Relative PSA	0.12515
PolarSurfaceArea	57.61
Druglikeness	-5.593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	1
StereoCon	racemate

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1 - 2-(4-bromophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one | 2 - 2-(4-bromophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

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