2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Formula:C23H13N2OCl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
MolecularFormula	C23H13N2OCl2F3
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(ccc(Cl)c2)c2Cl)N1c1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C23H13Cl2F3N2O/c24-16-10-8-14(19(25)13-16)9-11-21-29-20-7-2-1-6-18(20)22(31)30(21)17-5-3-4-15(12-17)23(26,27)28/h1-13H
InChIK	JSKUESJMDHVMEB-UHFFFAOYSA-N
TotalMolweight	461.269
Molweight	461.269
MonoisotopicMass	460.035701
CLogP	6.3704
CLogS	-7.308
H Acceptors	3
TotalSurfaceArea	317.1
Relative PSA	0.088616
PolarSurfaceArea	32.67
Druglikeness	-5.3814
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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