Nombre: TMDA
SMILES:
O=C(O)C1CSCC(C(=O)O)N1Molecular Processing
Molecular formula
C6H9NO4S
Molecular weight
191.21
Exact mass
191.0252
XLogP
-0.77
TPSA
86.63
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
43.31
Supplementary Information
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