Name: propranolol
SMILES:
CC(C)NCC(O)COc1cccc2ccccc12Molecular Processing
Molecular formula
C16H21NO2
Molecular weight
259.35
Exact mass
259.1572
XLogP
2.58
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
78.59
Supplementary Information
Details werden geladen…
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