NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O
名称: 2-1b
SMILES: NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O

Molecular Processing

Molecular formula
C9H12N2O4S
Molecular weight
244.27
Exact mass
244.0518
XLogP
-0.62
TPSA
109.49
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
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
0.222
Molar refractivity
57.24

Supplementary Information

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