SMILES:
CCCCc1ncc(CN[C@@H](Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C23H27N3O4S
Molecular weight
441.55
Exact mass
441.1722
XLogP
3.82
TPSA
104.45
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
119.63
Supplementary Information
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