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

Formula:C24H14N3O4I Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-iodo-3-naphthalen-2-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	6-iodo-3-naphthalen-2-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C24H14N3O4I
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3cc4ccccc4cc3)=Nc(ccc(I)c3)c3C2=O)o1)=O
InChI	InChI=1S/C24H14IN3O4/c25-17-6-10-21-20(14-17)24(29)27(18-7-5-15-3-1-2-4-16(15)13-18)22(26-21)11-8-19-9-12-23(32-19)28(30)31/h1-14H
InChIK	PGAYZKOBUHPNHL-UHFFFAOYSA-N
TotalMolweight	535.292
Molweight	535.292
MonoisotopicMass	535.002905
CLogP	4.5601
CLogS	-8.347
H Acceptors	7
TotalSurfaceArea	331.04
Relative PSA	0.2194
PolarSurfaceArea	91.63
Druglikeness	-0.61
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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