이름: 4-methyl-phenyl-amino-phenyl-acetic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl)ester
SMILES:
Cc1ccc(C(N)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1Molecular Processing
Molecular formula
C22H26N2O2
Molecular weight
350.46
Exact mass
350.1994
XLogP
2.83
TPSA
55.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
101.63
Supplementary Information
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