SMILES:
CC(Cl)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C10H11ClO2
Molecular weight
198.65
Exact mass
198.0448
XLogP
2.36
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.55
Supplementary Information
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