SMILES:
CC(c1ccc(Br)cc1)N1CCC(CCNCCF)(c2ccc(F)cc2)OC1=OMolecular Processing
Molecular formula
C22H25BrF2N2O2
Molecular weight
467.35
Exact mass
466.1067
XLogP
5.34
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.9
Supplementary Information
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