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

Formula:C22H13N2OClFI Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-chlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one is not a drug-like molecule.

MolName	3-(2-chlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
MolecularFormula	C22H13N2OClFI
Smiles	O=C(c(cc(cc1)I)c1N=C1/C=C/c(cc2)ccc2F)N1c(cccc1)c1Cl
InChI	InChI=1S/C22H13ClFIN2O/c23-18-3-1-2-4-20(18)27-21(12-7-14-5-8-15(24)9-6-14)26-19-11-10-16(25)13-17(19)22(27)28/h1-13H
InChIK	IRBHMYJCQBWEHL-UHFFFAOYSA-N
TotalMolweight	502.709
Molweight	502.709
MonoisotopicMass	501.974516
CLogP	5.454
CLogS	-7.124
H Acceptors	3
TotalSurfaceArea	304.85
Relative PSA	0.092176
PolarSurfaceArea	32.67
Druglikeness	1.0213
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
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	2
Amides	1
StereoCon

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