SMILES:
CC1Oc2cc(Cl)ccc2C1=OMolecular Processing
Molecular formula
C9H7ClO2
Molecular weight
182.61
Exact mass
182.0135
XLogP
2.3
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.87
Supplementary Information
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