SMILES:
CC(C)(C)OC(=O)C1(Cl)CC1Molecular Processing
Molecular formula
C8H13ClO2
Molecular weight
176.64
Exact mass
176.0604
XLogP
2.1
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
43.66
Supplementary Information
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