2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Formula:C9H5N2OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is a drug-like molecule.

MolName	2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
MolecularFormula	C9H5N2OF3
Smiles	O=C(C(F)(F)F)c1c[nH]c2c1cccn2
InChI	InChI=1S/C9H5F3N2O/c10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8/h1-4H,(H,13,14)
InChIK	FWZGJOLNEDZEEC-UHFFFAOYSA-N
TotalMolweight	214.146
Molweight	214.146
MonoisotopicMass	214.035397
CLogP	1.3365
CLogS	-3.615
H Acceptors	3
H Donors	1
TotalSurfaceArea	143.4
Relative PSA	0.26499
PolarSurfaceArea	45.75
Druglikeness	-32.395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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