COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)n1)C(F)(F)F
SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)n1)C(F)(F)F

Molecular Processing

Molecular formula
C21H25F4NO2
Molecular weight
399.43
Exact mass
399.1821
XLogP
5.05
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
99.01

Supplementary Information

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