SMILES:
OCC1CC(c2ccc(Br)s2)=NO1Molecular Processing
Molecular formula
C8H8BrNO2S
Molecular weight
262.13
Exact mass
260.9459
XLogP
2
TPSA
41.82
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
55.13
Supplementary Information
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