Name: DL-N-acetylhomocysteine thiolactone
SMILES:
CC(=O)NC1CCSC1=OMolecular Processing
Molecular formula
C6H9NO2S
Molecular weight
159.21
Exact mass
159.0354
XLogP
0.15
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
39.69
Supplementary Information
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