SMILES:
COc1nn(C)c(=O)n1Cc1cc(Br)ccc1CMolecular Processing
Molecular formula
C12H14BrN3O2
Molecular weight
312.17
Exact mass
311.0269
XLogP
1.71
TPSA
49.05
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
72
Supplementary Information
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