SMILES:
COc1cccc(-c2ncc(N)cc2Br)c1Molecular Processing
Molecular formula
C12H11BrN2O
Molecular weight
279.14
Exact mass
278.0055
XLogP
3.1
TPSA
48.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
68.34
Supplementary Information
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