SMILES:
Cc1cc(Br)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2Molecular Processing
Molecular formula
C15H13BrClNO3S
Molecular weight
402.7
Exact mass
400.9488
XLogP
4
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
90.36
Supplementary Information
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