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

Formula:C22H15N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-[5-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C22H15N2O5Cl
Smiles	OC(c(cc1)ccc1-c1ccc(/C=C(/C(N2Cc(cc3)ccc3Cl)=O)\NC2=O)o1)=O
InChI	InChI=1S/C22H15ClN2O5/c23-16-7-1-13(2-8-16)12-25-20(26)18(24-22(25)29)11-17-9-10-19(30-17)14-3-5-15(6-4-14)21(27)28/h1-11H,12H2,(H,24,29)(H,27,28)
InChIK	INDRGGHPWDPGTQ-UHFFFAOYSA-N
TotalMolweight	422.823
Molweight	422.823
MonoisotopicMass	422.06695
CLogP	3.5693
CLogS	-5.906
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.22
Relative PSA	0.26737
PolarSurfaceArea	99.85
Druglikeness	5.6918
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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