2-[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid

Formula:C12H9N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
MolecularFormula	C12H9N2O5Cl
Smiles	OC(COc(ccc(/C=C(\C(N1)=O)/NC1=O)c1)c1Cl)=O
InChI	InChI=1S/C12H9ClN2O5/c13-7-3-6(1-2-9(7)20-5-10(16)17)4-8-11(18)15-12(19)14-8/h1-4H,5H2,(H,16,17)(H2,14,15,18,19)
InChIK	WRKCTXBIFSFVLI-UHFFFAOYSA-N
TotalMolweight	296.665
Molweight	296.665
MonoisotopicMass	296.02
CLogP	0.5343
CLogS	-3.265
H Acceptors	7
H Donors	3
TotalSurfaceArea	206.17
Relative PSA	0.41296
PolarSurfaceArea	104.73
Druglikeness	3.4249
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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