(5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

Formula:C21H14N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
MolecularFormula	C21H14N3O5Cl
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C(\C(N3Cc(cc4)ccc4Cl)=O)/NC3=O)o2)c1)=O
InChI	InChI=1S/C21H14ClN3O5/c22-15-6-4-13(5-7-15)12-24-20(26)18(23-21(24)27)11-17-8-9-19(30-17)14-2-1-3-16(10-14)25(28)29/h1-11H,12H2,(H,23,27)
InChIK	UZIBHOOBAVKRJP-UHFFFAOYSA-N
TotalMolweight	423.811
Molweight	423.811
MonoisotopicMass	423.062199
CLogP	3.1626
CLogS	-6.353
H Acceptors	8
H Donors	1
TotalSurfaceArea	303.79
Relative PSA	0.28184
PolarSurfaceArea	108.37
Druglikeness	0.72579
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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