SMILES:
CC(C)(C)c1cc(SCCC(=O)NNC=O)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C18H28N2O3S
Molecular weight
352.5
Exact mass
352.1821
XLogP
3.25
TPSA
78.43
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
98.19
Supplementary Information
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