SMILES:
C=CCNC[C@H]1COc2c(Cl)cc(S(C)(=O)=O)cc2O1Molecular Processing
Molecular formula
C13H16ClNO4S
Molecular weight
317.79
Exact mass
317.0489
XLogP
1.66
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
77.54
Supplementary Information
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