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

Formula:C22H12N4O5ClI Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H12N4O5ClI
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(ccc([N+]([O-])=O)c3)c3Cl)=Nc(ccc(I)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C22H12ClIN4O5/c23-18-12-16(28(32)33)7-9-20(18)26-21(10-3-13-1-5-15(6-2-13)27(30)31)25-19-8-4-14(24)11-17(19)22(26)29/h1-12H
InChIK	CUOAKPUVNVDKSN-UHFFFAOYSA-N
TotalMolweight	574.713
Molweight	574.713
MonoisotopicMass	573.954096
CLogP	3.51
CLogS	-7.73
H Acceptors	9
TotalSurfaceArea	345.84
Relative PSA	0.25717
PolarSurfaceArea	124.31
Druglikeness	-2.7375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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