2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)-6-iodoquinazolin-4-one

Formula:C22H12N3O3BrClI Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)-6-iodoquinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)-6-iodoquinazolin-4-one
MolecularFormula	C22H12N3O3BrClI
Smiles	[O-][N+](c(cc1)cc(Cl)c1N(C(/C=C/c(cc1)ccc1Br)=Nc(cc1)c2cc1I)C2=O)=O
InChI	InChI=1S/C22H12BrClIN3O3/c23-14-4-1-13(2-5-14)3-10-21-26-19-8-6-15(25)11-17(19)22(29)27(21)20-9-7-16(28(30)31)12-18(20)24/h1-12H
InChIK	WNMBEFCNKWQDSY-UHFFFAOYSA-N
TotalMolweight	608.612
Molweight	608.612
MonoisotopicMass	606.879528
CLogP	5.1568
CLogS	-8.104
H Acceptors	6
TotalSurfaceArea	340.8
Relative PSA	0.17171
PolarSurfaceArea	78.49
Druglikeness	-4.5275
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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