名称: methyl 3-benzyl-3-(2-thienyl)propanoate
SMILES:
COC(=O)CC(Cc1ccccc1)c1cccs1Molecular Processing
Molecular formula
C15H16O2S
Molecular weight
260.36
Exact mass
260.0871
XLogP
3.64
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
73.84
Supplementary Information
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