SMILES:
Cc1cccnc1BrMolecular Processing
Molecular formula
C6H6BrN
Molecular weight
172.03
Exact mass
170.9684
XLogP
2.15
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
36.67
Supplementary Information
Details werden geladen…
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