SMILES:
Cl.Clc1ncc(OC[C@@H]2CCN2)cc1BrMolecular Processing
Molecular formula
C9H11BrCl2N2O
Molecular weight
314.01
Exact mass
311.9432
XLogP
2.66
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
66.1
Supplementary Information
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