SMILES:
CC(C)(Cc1ccccc1)OC(=O)CC(O)CC(O)CClMolecular Processing
Molecular formula
C16H23ClO4
Molecular weight
314.81
Exact mass
314.1285
XLogP
2.29
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.28
Supplementary Information
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