SMILES:
COc1cc(N2CCC(Br)C2=O)ccc1ClMolecular Processing
Molecular formula
C11H11BrClNO2
Molecular weight
304.57
Exact mass
302.9662
XLogP
2.85
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.69
Supplementary Information
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