SMILES:
CC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C21H23BrN2O3
Molecular weight
431.33
Exact mass
430.0892
XLogP
4.51
TPSA
72.63
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.91
Supplementary Information
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