SMILES:
CC(C)c1ccc(OC2CCC3(CC2)NC(C(=O)O)C(C)(C)S3)cc1Molecular Processing
Molecular formula
C20H29NO3S
Molecular weight
363.52
Exact mass
363.1868
XLogP
4.4
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
102.38
Supplementary Information
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