SMILES:
COc1cc(Br)cc(CC2CC(=O)Nc3ccccc32)c1Molecular Processing
Molecular formula
C17H16BrNO2
Molecular weight
346.22
Exact mass
345.0364
XLogP
4.13
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
86.83
Supplementary Information
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