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

Formula:C21H12N2O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-4-[5-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-4-[5-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C21H12N2O5Cl2
Smiles	OC(c(ccc(-c1ccc(/C=C(/C(N2c3cc(Cl)ccc3)=O)\NC2=O)o1)c1)c1Cl)=O
InChI	InChI=1S/C21H12Cl2N2O5/c22-12-2-1-3-13(9-12)25-19(26)17(24-21(25)29)10-14-5-7-18(30-14)11-4-6-15(20(27)28)16(23)8-11/h1-10H,(H,24,29)(H,27,28)
InChIK	GGPOVWMSVQBOIN-UHFFFAOYSA-N
TotalMolweight	443.241
Molweight	443.241
MonoisotopicMass	442.012327
CLogP	4.2524
CLogS	-7.164
H Acceptors	7
H Donors	2
TotalSurfaceArea	305.88
Relative PSA	0.26592
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	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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

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