(E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one

Formula:C12H8NOF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
MolecularFormula	C12H8NOF3
Smiles	O=C(C(F)(F)F)/C=C/c1c[nH]c2c1cccc2
InChI	InChI=1S/C12H8F3NO/c13-12(14,15)11(17)6-5-8-7-16-10-4-2-1-3-9(8)10/h1-7,16H
InChIK	NVKOBNNCHGLNGA-UHFFFAOYSA-N
TotalMolweight	239.196
Molweight	239.196
MonoisotopicMass	239.055798
CLogP	2.6753
CLogS	-3.711
H Acceptors	2
H Donors	1
TotalSurfaceArea	171.14
Relative PSA	0.15794
PolarSurfaceArea	32.86
Druglikeness	-32.304
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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