SMILES:
O=C(Cl)c1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C9H7ClO3
Molecular weight
198.6
Exact mass
198.0084
XLogP
1.84
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.62
Supplementary Information
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