2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one

Formula:C23H14N3O5I Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one
MolecularFormula	C23H14N3O5I
Smiles	[O-][N+](c1cccc(N(C(/C=C/c(cc2)cc3c2OCO3)=Nc(cc2)c3cc2I)C3=O)c1)=O
InChI	InChI=1S/C23H14IN3O5/c24-15-6-7-19-18(11-15)23(28)26(16-2-1-3-17(12-16)27(29)30)22(25-19)9-5-14-4-8-20-21(10-14)32-13-31-20/h1-12H,13H2
InChIK	OFELOFBUEMTLHK-UHFFFAOYSA-N
TotalMolweight	539.28
Molweight	539.28
MonoisotopicMass	538.99782
CLogP	3.937
CLogS	-7.245
H Acceptors	8
TotalSurfaceArea	327.01
Relative PSA	0.24011
PolarSurfaceArea	96.95
Druglikeness	-2.84
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one

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