COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C
名称: methyl N-[(4-bromophenyl)sulfonyl]-L-valinate
SMILES: COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C

Molecular Processing

Molecular formula
C12H16BrNO4S
Molecular weight
350.23
Exact mass
348.9983
XLogP
1.92
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
75.11

Supplementary Information

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