SMILES:
COC1(C2(c3ccc(Cl)cc3)CO2)CC1Molecular Processing
Molecular formula
C12H13ClO2
Molecular weight
224.69
Exact mass
224.0604
XLogP
2.74
TPSA
21.76
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.06
Supplementary Information
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