SMILES:
N#Cc1c(N)ccc(Br)c1ClMolecular Processing
Molecular formula
C7H4BrClN2
Molecular weight
231.48
Exact mass
229.9246
XLogP
2.56
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
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
48.28
Supplementary Information
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