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

Formula:C26H16N3O3I Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-iodo-3-naphthalen-2-yl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	6-iodo-3-naphthalen-2-yl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C26H16N3O3I
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3cc4ccccc4cc3)=Nc(ccc(I)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C26H16IN3O3/c27-20-9-13-24-23(16-20)26(31)29(22-12-8-18-3-1-2-4-19(18)15-22)25(28-24)14-7-17-5-10-21(11-6-17)30(32)33/h1-16H
InChIK	WLNWHXFMLSXASX-UHFFFAOYSA-N
TotalMolweight	545.331
Molweight	545.331
MonoisotopicMass	545.02364
CLogP	5.02
CLogS	-8.14
H Acceptors	6
TotalSurfaceArea	341.35
Relative PSA	0.17144
PolarSurfaceArea	78.49
Druglikeness	-2.8051
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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