2-chloro-5-[5-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

Formula:C21H12N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	2-chloro-5-[5-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
MolecularFormula	C21H12N2O5Cl
Smiles	[O-]C(c(cc(cc1)-c2ccc(/C=C(/C(N3c4ccccc4)=O)\NC3=O)o2)c1Cl)=O
InChI	InChI=1S/C21H13ClN2O5/c22-16-8-6-12(10-15(16)20(26)27)18-9-7-14(29-18)11-17-19(25)24(21(28)23-17)13-4-2-1-3-5-13/h1-11H,(H,23,28)(H,26,27)/p-1
InChIK	QBCJHAKYAHFFKF-UHFFFAOYSA-M
TotalMolweight	407.788
Molweight	407.788
MonoisotopicMass	407.043475
CLogP	1.5704
CLogS	-6.428
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.64
Relative PSA	0.28295
PolarSurfaceArea	102.68
Druglikeness	4.8418
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.55172
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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1 - 2-chloro-5-[5-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate | 2 - 2-chloro-5-[5-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

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