이름: Benzylamino-phenyl-acetic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl)ester
SMILES:
O=C(O[C@H]1CN2CCC1CC2)C(NCc1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C22H26N2O2
Molecular weight
350.46
Exact mass
350.1994
XLogP
3.15
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
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
101.51
Supplementary Information
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