2-(4-fluorophenyl)-4-hydroxy-1-(4-iodophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Formula:C25H17NO3FI Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-fluorophenyl)-4-hydroxy-1-(4-iodophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is not a drug-like molecule.

MolName	2-(4-fluorophenyl)-4-hydroxy-1-(4-iodophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
MolecularFormula	C25H17NO3FI
Smiles	OC(C(N(C1c(cc2)ccc2F)c(cc2)ccc2I)=O)=C1C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C25H17FINO3/c26-18-9-7-17(8-10-18)23-22(21(29)15-6-16-4-2-1-3-5-16)24(30)25(31)28(23)20-13-11-19(27)12-14-20/h1-15,23,30H/t23-/m1/s1
InChIK	UHBBBRZFILMEHY-HSZRJFAPSA-N
TotalMolweight	525.312
Molweight	525.312
MonoisotopicMass	525.02372
CLogP	4.4779
CLogS	-6.033
H Acceptors	4
H Donors	1
TotalSurfaceArea	325.98
Relative PSA	0.13108
PolarSurfaceArea	57.61
Druglikeness	2.5187
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	1
StereoCon	racemate

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