Nombre: Compound 2
SMILES:
N#Cc1cc(Br)cnc1NMolecular Processing
Molecular formula
C6H4BrN3
Molecular weight
198.02
Exact mass
196.9589
XLogP
1.3
TPSA
62.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.06
Supplementary Information
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