名称: {4-[4-(4-bromo-phenyl)-piperidin-4-yl]-phenoxy}-acetic acid ethyl ester
SMILES:
CCOC(=O)COc1ccc(C2(c3ccc(Br)cc3)CCNCC2)cc1Molecular Processing
Molecular formula
C21H24BrNO3
Molecular weight
418.33
Exact mass
417.094
XLogP
4.06
TPSA
47.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.6
Supplementary Information
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