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

Formula:C22H13N2OBr2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodoquinazolin-4-one is not a drug-like molecule.

MolName	3-(4-bromophenyl)-2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodoquinazolin-4-one
MolecularFormula	C22H13N2OBr2I
Smiles	O=C(c(cc(cc1)I)c1N=C1/C=C/c2cc(Br)ccc2)N1c(cc1)ccc1Br
InChI	InChI=1S/C22H13Br2IN2O/c23-15-5-8-18(9-6-15)27-21(11-4-14-2-1-3-16(24)12-14)26-20-10-7-17(25)13-19(20)22(27)28/h1-13H
InChIK	QKFBUODWKYTGNK-UHFFFAOYSA-N
TotalMolweight	608.066
Molweight	608.066
MonoisotopicMass	605.843933
CLogP	6.1976
CLogS	-7.742
H Acceptors	3
TotalSurfaceArea	320.34
Relative PSA	0.087719
PolarSurfaceArea	32.67
Druglikeness	0.5154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	2
Amides	1
StereoCon

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