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

Formula:C20H12N3O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(4-bromophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(4-bromophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H12N3O4Br
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(cc3)ccc3Br)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C20H12BrN3O4/c21-13-5-7-14(8-6-13)23-18(11-9-15-10-12-19(28-15)24(26)27)22-17-4-2-1-3-16(17)20(23)25/h1-12H
InChIK	HWEPYOVJPOTCIB-UHFFFAOYSA-N
TotalMolweight	438.236
Molweight	438.236
MonoisotopicMass	437.001118
CLogP	3.6538
CLogS	-6.559
H Acceptors	7
TotalSurfaceArea	288.79
Relative PSA	0.2515
PolarSurfaceArea	91.63
Druglikeness	-2.857
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
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	1
AcidicOxygens	1
StereoCon

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