2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-(2-phenylethyl)quinazolin-4-one

Formula:C24H18N2OFI Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-(2-phenylethyl)quinazolin-4-one
MolecularFormula	C24H18N2OFI
Smiles	O=C1N(CCc2ccccc2)C(/C=C/c(cccc2)c2F)=Nc(cc2)c1cc2I
InChI	InChI=1S/C24H18FIN2O/c25-21-9-5-4-8-18(21)10-13-23-27-22-12-11-19(26)16-20(22)24(29)28(23)15-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2
InChIK	PXPRXUPFHGQAAX-UHFFFAOYSA-N
TotalMolweight	496.318
Molweight	496.318
MonoisotopicMass	496.044789
CLogP	5.201
CLogS	-5.978
H Acceptors	3
TotalSurfaceArea	316.95
Relative PSA	0.088658
PolarSurfaceArea	32.67
Druglikeness	2.421
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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