SMILES:
CCOC(=O)c1ccc(Cl)o1Molecular Processing
Molecular formula
C7H7ClO3
Molecular weight
174.58
Exact mass
174.0084
XLogP
2.11
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
39.67
Supplementary Information
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