SMILES:
CCOc1ccc(-c2ccc(C3CCC(CBr)CC3)cc2)cc1FMolecular Processing
Molecular formula
C21H24BrFO
Molecular weight
391.32
Exact mass
390.0995
XLogP
6.56
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
101.5
Supplementary Information
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