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

Formula:C12H10NOF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol
MolecularFormula	C12H10NOF3
Smiles	OC(C(F)(F)F)/C=C/c1c[nH]c2c1cccc2
InChI	InChI=1S/C12H10F3NO/c13-12(14,15)11(17)6-5-8-7-16-10-4-2-1-3-9(8)10/h1-7,11,16-17H/t11-/m1/s1
InChIK	YGQJAOQHDNLYFN-LLVKDONJSA-N
TotalMolweight	241.211
Molweight	241.211
MonoisotopicMass	241.071448
CLogP	2.7065
CLogS	-3.66
H Acceptors	2
H Donors	2
TotalSurfaceArea	172.24
Relative PSA	0.15728
PolarSurfaceArea	36.02
Druglikeness	-10.989
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
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon	racemate

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