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

Formula:C22H13N3O3ClI Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H13N3O3ClI
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(cc3)ccc3Cl)=Nc(ccc(I)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C22H13ClIN3O3/c23-15-4-9-17(10-5-15)26-21(12-3-14-1-7-18(8-2-14)27(29)30)25-20-11-6-16(24)13-19(20)22(26)28/h1-13H
InChIK	FKCHOPIVTJJRHB-UHFFFAOYSA-N
TotalMolweight	529.716
Molweight	529.716
MonoisotopicMass	528.969017
CLogP	4.4316
CLogS	-7.27
H Acceptors	6
TotalSurfaceArea	322.17
Relative PSA	0.18164
PolarSurfaceArea	78.49
Druglikeness	-2.7375
Mutagenic	none
Tumorigenic	none
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	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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