SMILES:
CNc1ccc(Br)cn1Molecular Processing
Molecular formula
C6H7BrN2
Molecular weight
187.04
Exact mass
185.9793
XLogP
1.89
TPSA
24.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
41.48
Supplementary Information
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