1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene

Formula:C8H2NO2F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene is a drug-like molecule.

MolName	1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene
MolecularFormula	C8H2NO2F5
Smiles	[O-][N+](/C=C/c(c(F)c(c(F)c1F)F)c1F)=O
InChI	InChI=1S/C8H2F5NO2/c9-4-3(1-2-14(15)16)5(10)7(12)8(13)6(4)11/h1-2H
InChIK	LBBACRWAXVCTNR-UHFFFAOYSA-N
TotalMolweight	239.099
Molweight	239.099
MonoisotopicMass	239.000569
CLogP	1.2738
CLogS	-4.196
H Acceptors	3
TotalSurfaceArea	155.18
Relative PSA	0.19603
PolarSurfaceArea	45.82
Druglikeness	-8.4342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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