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

Formula:C20H11N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H11N4O6Cl
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(ccc([N+]([O-])=O)c3)c3Cl)=Nc(cccc3)c3C2=O)o1)=O
InChI	InChI=1S/C20H11ClN4O6/c21-15-11-12(24(27)28)5-8-17(15)23-18(9-6-13-7-10-19(31-13)25(29)30)22-16-4-2-1-3-14(16)20(23)26/h1-11H
InChIK	QRAJIDDKRVXPJY-UHFFFAOYSA-N
TotalMolweight	438.782
Molweight	438.782
MonoisotopicMass	438.036713
CLogP	2.613
CLogS	-6.921
H Acceptors	10
TotalSurfaceArea	309.25
Relative PSA	0.33323
PolarSurfaceArea	137.45
Druglikeness	-1.0081
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
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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