Name: solution
SMILES:
COC(=O)c1[nH]c2cccc(-c3ccccc3C)c2c1BrMolecular Processing
Molecular formula
C17H14BrNO2
Molecular weight
344.21
Exact mass
343.0208
XLogP
4.69
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
87.51
Supplementary Information
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