COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
名称: (3S,11bS)-tetrabenazine
SMILES: COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2

Molecular Processing

Molecular formula
C19H27NO3
Molecular weight
317.43
Exact mass
317.1991
XLogP
3.24
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
90.13

Supplementary Information

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