Name: 6-bromomethyl-benzothiazole
SMILES:
BrCc1ccc2ncsc2c1Molecular Processing
Molecular formula
C8H6BrNS
Molecular weight
228.11
Exact mass
226.9404
XLogP
3.19
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.25
Supplementary Information
Details werden geladen…
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