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

Formula:C22H13N2OBrFI Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one is not a drug-like molecule.

MolName	3-(4-bromophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
MolecularFormula	C22H13N2OBrFI
Smiles	O=C(c(cc(cc1)I)c1N=C1/C=C/c(cc2)ccc2F)N1c(cc1)ccc1Br
InChI	InChI=1S/C22H13BrFIN2O/c23-15-4-9-18(10-5-15)27-21(12-3-14-1-6-16(24)7-2-14)26-20-11-8-17(25)13-19(20)22(27)28/h1-13H
InChIK	JRBJNEHQQMVDKI-UHFFFAOYSA-N
TotalMolweight	547.16
Molweight	547.16
MonoisotopicMass	545.924
CLogP	5.5732
CLogS	-7.222
H Acceptors	3
TotalSurfaceArea	308.06
Relative PSA	0.091216
PolarSurfaceArea	32.67
Druglikeness	-0.8246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
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	4
Amides	1
StereoCon

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