3-[5-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid

Formula:C21H13N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C21H13N2O5Cl
Smiles	OC(c1cccc(-c2ccc(/C=C(\C(N3c(cc4)ccc4Cl)=O)/NC3=O)o2)c1)=O
InChI	InChI=1S/C21H13ClN2O5/c22-14-4-6-15(7-5-14)24-19(25)17(23-21(24)28)11-16-8-9-18(29-16)12-2-1-3-13(10-12)20(26)27/h1-11H,(H,23,28)(H,26,27)
InChIK	POPSAMPKEIDKQP-UHFFFAOYSA-N
TotalMolweight	408.796
Molweight	408.796
MonoisotopicMass	408.0513
CLogP	3.6464
CLogS	-6.428
H Acceptors	7
H Donors	2
TotalSurfaceArea	290.46
Relative PSA	0.28004
PolarSurfaceArea	99.85
Druglikeness	4.6807
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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