SMILES:
O=C(O)c1ccc(CCCC2SCC(=O)N2CCCC2(O)CCCCC2)cc1Molecular Processing
Molecular formula
C22H31NO4S
Molecular weight
405.56
Exact mass
405.1974
XLogP
4.08
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
111.57
Supplementary Information
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