SMILES:
CC(C)(CC=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C11H13ClO
Molecular weight
196.68
Exact mass
196.0655
XLogP
3.21
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
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
0.364
Molar refractivity
55.16
Supplementary Information
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