Название: 2-[4-amino-3-(2,2,2-trifluoro-ethoxy)-phenyl]-3-cyclobutyl-propionic acid methyl ester
SMILES:
COC(=O)C(CC1CCC1)c1ccc(N)c(OCC(F)(F)F)c1Molecular Processing
Molecular formula
C16H20F3NO3
Molecular weight
331.33
Exact mass
331.1395
XLogP
3.66
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
79.12
Supplementary Information
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