SMILES:
COc1ccc(C2C(C)(C)C2(F)F)cc1Molecular Processing
Molecular formula
C12H14F2O
Molecular weight
212.24
Exact mass
212.1013
XLogP
3.45
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
54.46
Supplementary Information
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