2-[4-bromo-2-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid

Formula:C19H14N2O5BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[4-bromo-2-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-bromo-2-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C19H14N2O5BrF
Smiles	OC(COc(cc1)c(/C=C(/C(N2Cc(cc3)ccc3F)=O)\NC2=O)cc1Br)=O
InChI	InChI=1S/C19H14BrFN2O5/c20-13-3-6-16(28-10-17(24)25)12(7-13)8-15-18(26)23(19(27)22-15)9-11-1-4-14(21)5-2-11/h1-8H,9-10H2,(H,22,27)(H,24,25)
InChIK	WEPOSKVTXINPCR-UHFFFAOYSA-N
TotalMolweight	449.231
Molweight	449.231
MonoisotopicMass	448.007012
CLogP	2.4253
CLogS	-4.638
H Acceptors	7
H Donors	2
TotalSurfaceArea	288.09
Relative PSA	0.26808
PolarSurfaceArea	95.94
Druglikeness	1.8496
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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