이름: 2-(5-chloro-2-methoxy-phenylsulfanyl)-2-methyl-propionic acid methyl ester
SMILES:
COC(=O)C(C)(C)Sc1cc(Cl)ccc1OCMolecular Processing
Molecular formula
C12H15ClO3S
Molecular weight
274.77
Exact mass
274.043
XLogP
3.39
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.96
Supplementary Information
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