SMILES:
CCn1ncc(C(=O)c2ccc(Br)c3ncccc23)c1OMolecular Processing
Molecular formula
C15H12BrN3O2
Molecular weight
346.18
Exact mass
345.0113
XLogP
3.15
TPSA
68.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
82.44
Supplementary Information
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