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

Formula:C24H18N3O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.

MolName	6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
MolecularFormula	C24H18N3O3I
Smiles	[O-][N+](c1ccc(/C=C/C(N2CCc3ccccc3)=Nc(ccc(I)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C24H18IN3O3/c25-19-9-12-22-21(16-19)24(29)27(15-14-17-4-2-1-3-5-17)23(26-22)13-8-18-6-10-20(11-7-18)28(30)31/h1-13,16H,14-15H2
InChIK	BMNJDFBBKUVKAW-UHFFFAOYSA-N
TotalMolweight	523.325
Molweight	523.325
MonoisotopicMass	523.03929
CLogP	4.1786
CLogS	-6.124
H Acceptors	6
TotalSurfaceArea	334.27
Relative PSA	0.17507
PolarSurfaceArea	78.49
Druglikeness	-1.328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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