名称: ipratropium bromide
SMILES:
CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]Molecular Processing
Molecular formula
C20H32BrNO4
Molecular weight
430.38
Exact mass
429.1515
XLogP
-0.97
TPSA
78.03
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.65
Molar refractivity
97.13
Supplementary Information
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