2-nitro-5-[(E)-3,3,3-trifluoroprop-1-enyl]furan

Formula:C7H4NO3F3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-nitro-5-[(E)-3,3,3-trifluoroprop-1-enyl]furan is a drug-like molecule.

MolName	2-nitro-5-[(E)-3,3,3-trifluoroprop-1-enyl]furan
MolecularFormula	C7H4NO3F3
Smiles	[O-][N+](c1ccc(/C=C/C(F)(F)F)o1)=O
InChI	InChI=1S/C7H4F3NO3/c8-7(9,10)4-3-5-1-2-6(14-5)11(12)13/h1-4H
InChIK	WWJFESWUIVUJLV-UHFFFAOYSA-N
TotalMolweight	207.107
Molweight	207.107
MonoisotopicMass	207.014328
CLogP	1.853
CLogS	-3.931
H Acceptors	4
TotalSurfaceArea	142.58
Relative PSA	0.31232
PolarSurfaceArea	58.96
Druglikeness	-10.664
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	14
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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