Nombre: ethyl 2-(1-benzyl-4-piperidyl)-4-bromobutanoate
SMILES:
CCOC(=O)C(CCBr)C1CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C18H26BrNO2
Molecular weight
368.32
Exact mass
367.1147
XLogP
3.86
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
92.98
Supplementary Information
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