SMILES:
CC1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21.ClMolecular Processing
Molecular formula
C18H17Cl2NO3S
Molecular weight
398.31
Exact mass
397.0306
XLogP
4.55
TPSA
59.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
100.49
Supplementary Information
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