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

Formula:C20H12N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
MolecularFormula	C20H12N4O6
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3cccc([N+]([O-])=O)c3)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C20H12N4O6/c25-20-16-6-1-2-7-17(16)21-18(10-8-15-9-11-19(30-15)24(28)29)22(20)13-4-3-5-14(12-13)23(26)27/h1-12H
InChIK	BMVUFGLQWUSAJD-UHFFFAOYSA-N
TotalMolweight	404.337
Molweight	404.337
MonoisotopicMass	404.075686
CLogP	2.007
CLogS	-6.185
H Acceptors	10
TotalSurfaceArea	293.83
Relative PSA	0.35071
PolarSurfaceArea	137.45
Druglikeness	-1.067
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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