2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]quinoxaline

Formula:C24H14N5O2F3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]quinoxaline is a drug-like molecule.

MolName	2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]quinoxaline
MolecularFormula	C24H14N5O2F3
Smiles	[O-][N+](c1cccc(/C=C/c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)c1)=O
InChI	InChI=1S/C24H14F3N5O2/c25-24(26,27)16-6-4-7-17(14-16)31-21(12-11-15-5-3-8-18(13-15)32(33)34)30-22-23(31)29-20-10-2-1-9-19(20)28-22/h1-14H
InChIK	CTCSRDWNHZBQJC-UHFFFAOYSA-N
TotalMolweight	461.402
Molweight	461.402
MonoisotopicMass	461.109959
CLogP	4.7482
CLogS	-9.27
H Acceptors	7
TotalSurfaceArea	327.09
Relative PSA	0.21462
PolarSurfaceArea	89.42
Druglikeness	-11.668
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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