Name: 5-chloro-2-(3-(3-(trifluoromethoxy)phenoxy)azetidin-1-yl)nicotinic acid
SMILES:
O=C(O)c1cc(Cl)cnc1N1CC(Oc2cccc(OC(F)(F)F)c2)C1Molecular Processing
Molecular formula
C16H12ClF3N2O4
Molecular weight
388.73
Exact mass
388.0438
XLogP
3.6
TPSA
71.89
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.96
Supplementary Information
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