SMILES:
OCC=Cc1ccc(Cl)cc1Molecular Processing
Molecular formula
C9H9ClO
Molecular weight
168.62
Exact mass
168.0342
XLogP
2.35
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
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
2
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
47.57
Supplementary Information
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