Name: Compound ( 19 )
SMILES:
OCCc1nc2ccc(Br)cc2s1Molecular Processing
Molecular formula
C9H8BrNOS
Molecular weight
258.14
Exact mass
256.951
XLogP
2.59
TPSA
33.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
58.11
Supplementary Information
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