SMILES:
O=S(=O)(Oc1cccc(OCC2CCCNC2)c1)c1ccccc1ClMolecular Processing
Molecular formula
C18H20ClNO4S
Molecular weight
381.88
Exact mass
381.0802
XLogP
3.49
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.8
Supplementary Information
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