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

Formula:C20H11N4O6I Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
MolecularFormula	C20H11N4O6I
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(cccc3)c3[N+]([O-])=O)=Nc(ccc(I)c3)c3C2=O)o1)=O
InChI	InChI=1S/C20H11IN4O6/c21-12-5-8-15-14(11-12)20(26)23(16-3-1-2-4-17(16)24(27)28)18(22-15)9-6-13-7-10-19(31-13)25(29)30/h1-11H
InChIK	ICNHDEHWKWOMJO-UHFFFAOYSA-N
TotalMolweight	530.229
Molweight	530.229
MonoisotopicMass	529.972334
CLogP	2.4441
CLogS	-7.201
H Acceptors	10
TotalSurfaceArea	320.11
Relative PSA	0.32192
PolarSurfaceArea	137.45
Druglikeness	-0.61
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45161
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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