SMILES:
COc1ccc(C(=O)C(=O)c2ccc(C#N)c(Br)c2)cc1CMolecular Processing
Molecular formula
C17H12BrNO3
Molecular weight
358.19
Exact mass
357.0001
XLogP
3.7
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
85.25
Supplementary Information
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