SMILES:
Cc1c(OCc2cccnc2SC(C)C)ccc(C2CC2C(=O)O)c1CMolecular Processing
Molecular formula
C21H25NO3S
Molecular weight
371.5
Exact mass
371.1555
XLogP
4.97
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
103.96
Supplementary Information
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