Name: 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-mercaptopropanoic acid
SMILES:
CC(C)(C)c1cc(CC(S)C(=O)O)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C17H26O3S
Molecular weight
310.46
Exact mass
310.1603
XLogP
3.91
TPSA
57.53
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
89.62
Supplementary Information
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