Name: 2-(3-(4-fluorophenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinic acid
SMILES:
O=C(O)c1cc(C(F)(F)F)cnc1N1CC(Oc2ccc(F)cc2)C1Molecular Processing
Molecular formula
C16H12F4N2O3
Molecular weight
356.28
Exact mass
356.0784
XLogP
3.21
TPSA
62.66
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
79.23
Supplementary Information
Details werden geladen…
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