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

Formula:C23H14N3O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
MolecularFormula	C23H14N3O3F3
Smiles	[O-][N+](c1c(/C=C/C(N2c3cccc(C(F)(F)F)c3)=Nc(cccc3)c3C2=O)cccc1)=O
InChI	InChI=1S/C23H14F3N3O3/c24-23(25,26)16-7-5-8-17(14-16)28-21(27-19-10-3-2-9-18(19)22(28)30)13-12-15-6-1-4-11-20(15)29(31)32/h1-14H
InChIK	QNYGUZXNTYIMHW-UHFFFAOYSA-N
TotalMolweight	437.376
Molweight	437.376
MonoisotopicMass	437.098726
CLogP	4.2368
CLogS	-6.296
H Acceptors	6
TotalSurfaceArea	309.93
Relative PSA	0.18882
PolarSurfaceArea	78.49
Druglikeness	-10.56
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.40625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-2-(2-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one | 2 - 2-[(E)-2-(2-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

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