COc1ccc(CS[C@H]2C[C@@H](C(=O)O)N(C)C2)cc1
名称: (2S,4S)-4-(4-methoxybenzylthio)-1-methylpyrrolidine-2-carboxylic acid
SMILES: COc1ccc(CS[C@H]2C[C@@H](C(=O)O)N(C)C2)cc1

Molecular Processing

Molecular formula
C14H19NO3S
Molecular weight
281.38
Exact mass
281.1086
XLogP
2.09
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.75

Supplementary Information

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