3-[3,5-bis(trifluoromethyl)phenyl]-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one

Formula:C24H13N2OF7 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[3,5-bis(trifluoromethyl)phenyl]-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-[3,5-bis(trifluoromethyl)phenyl]-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C24H13N2OF7
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(cccc2)c2F)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C24H13F7N2O/c25-19-7-3-1-5-14(19)9-10-21-32-20-8-4-2-6-18(20)22(34)33(21)17-12-15(23(26,27)28)11-16(13-17)24(29,30)31/h1-13H
InChIK	NKXSRNSITGTXJL-UHFFFAOYSA-N
TotalMolweight	478.366
Molweight	478.366
MonoisotopicMass	478.091609
CLogP	6.1075
CLogS	-6.928
H Acceptors	3
TotalSurfaceArea	322.07
Relative PSA	0.087248
PolarSurfaceArea	32.67
Druglikeness	-5.4437
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.38235
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	8
Amides	1
StereoCon

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