이름: 3-(5-chloro-2-thenoyl)-2-methylpropionic acid
SMILES:
CC(CC(=O)c1ccc(Cl)s1)C(=O)OMolecular Processing
Molecular formula
C9H9ClO3S
Molecular weight
232.69
Exact mass
231.9961
XLogP
2.7
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.08
Supplementary Information
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