(R)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol

Formula:C16H15N2OCl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (R)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol is a drug-like molecule.

MolName	(R)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
MolecularFormula	C16H15N2OCl2F3
Smiles	O[C@@H]([C@@H]1NCCCC1)c1c(cc(cc2Cl)Cl)c2nc(C(F)(F)F)c1
InChI	InChI=1S/C16H15Cl2F3N2O/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8/h5-7,12,15,22,24H,1-4H2/t12-,15-/m1/s1
InChIK	GBOMJGJESBMUBL-IUODEOHRSA-N
TotalMolweight	379.208
Molweight	379.208
MonoisotopicMass	378.051351
CLogP	3.8713
CLogS	-5.07
H Acceptors	3
H Donors	2
TotalSurfaceArea	251.27
Relative PSA	0.1414
PolarSurfaceArea	45.15
Druglikeness	-7.4233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	9
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	this enantiomer

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