COC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)cc1
名称: 3-cyclopentyl-2-(4-methanesulfonylphenyl)propionic acid methyl ester
SMILES: COC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)cc1

Molecular Processing

Molecular formula
C16H22O4S
Molecular weight
310.42
Exact mass
310.1239
XLogP
2.93
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
80.88

Supplementary Information

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