SMILES:
Cc1c(OCc2cccnc2SC2CCC2)ccc(C2CC2C(=O)O)c1CMolecular Processing
Molecular formula
C22H25NO3S
Molecular weight
383.51
Exact mass
383.1555
XLogP
5.11
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
106.46
Supplementary Information
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