Name: 5-chloro-2-(3-(3-(trifluoromethyl)phenoxy)azetidin-1-yl)nicotinic acid
SMILES:
O=C(O)c1cc(Cl)cnc1N1CC(Oc2cccc(C(F)(F)F)c2)C1Molecular Processing
Molecular formula
C16H12ClF3N2O3
Molecular weight
372.73
Exact mass
372.0489
XLogP
3.72
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
84.28
Supplementary Information
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