3-(2-chlorophenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

Formula:C20H11N3O4ClI Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(2-chlorophenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(2-chlorophenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H11N3O4ClI
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(cccc3)c3Cl)=Nc(ccc(I)c3)c3C2=O)o1)=O
InChI	InChI=1S/C20H11ClIN3O4/c21-15-3-1-2-4-17(15)24-18(9-6-13-7-10-19(29-13)25(27)28)23-16-8-5-12(22)11-14(16)20(24)26/h1-11H
InChIK	KZHJPPNQOISQSO-UHFFFAOYSA-N
TotalMolweight	519.677
Molweight	519.677
MonoisotopicMass	518.948282
CLogP	3.9717
CLogS	-7.477
H Acceptors	7
TotalSurfaceArea	311.86
Relative PSA	0.23289
PolarSurfaceArea	91.63
Druglikeness	-0.55393
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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