3-(2,5-dibromophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

Formula:C20H11N3O4Br2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(2,5-dibromophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(2,5-dibromophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H11N3O4Br2
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(cc(cc3)Br)c3Br)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C20H11Br2N3O4/c21-12-5-8-15(22)17(11-12)24-18(9-6-13-7-10-19(29-13)25(27)28)23-16-4-2-1-3-14(16)20(24)26/h1-11H
InChIK	ZVKZBNPGYVRUSF-UHFFFAOYSA-N
TotalMolweight	517.132
Molweight	517.132
MonoisotopicMass	514.911629
CLogP	4.379
CLogS	-7.393
H Acceptors	7
TotalSurfaceArea	307.42
Relative PSA	0.23626
PolarSurfaceArea	91.63
Druglikeness	-2.857
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44828
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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