Name: 2-benzyl-3-tert.-butylthiopropionic acid
SMILES:
CC(C)(C)CC(Cc1ccccc1)C(O)=SMolecular Processing
Molecular formula
C14H20OS
Molecular weight
236.38
Exact mass
236.1235
XLogP
4.17
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.93
Supplementary Information
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