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

Formula:C22H16N3O4I Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.

MolName	6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
MolecularFormula	C22H16N3O4I
Smiles	[O-][N+](c1ccc(/C=C/C(N2CCc3ccccc3)=Nc(ccc(I)c3)c3C2=O)o1)=O
InChI	InChI=1S/C22H16IN3O4/c23-16-6-9-19-18(14-16)22(27)25(13-12-15-4-2-1-3-5-15)20(24-19)10-7-17-8-11-21(30-17)26(28)29/h1-11,14H,12-13H2
InChIK	YXHDTCMLPWEITD-UHFFFAOYSA-N
TotalMolweight	513.286
Molweight	513.286
MonoisotopicMass	513.018555
CLogP	3.7187
CLogS	-6.331
H Acceptors	7
TotalSurfaceArea	323.96
Relative PSA	0.22419
PolarSurfaceArea	91.63
Druglikeness	0.63464
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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