SMILES:
CCN(CCCCN1CCCOC1=O)[C@@H](C)Cc1ccc(S(C)(=O)=O)cc1Molecular Processing
Molecular formula
C20H32N2O4S
Molecular weight
396.55
Exact mass
396.2083
XLogP
2.97
TPSA
66.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
106.74
Supplementary Information
Details werden geladen…
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