SMILES:
COC(=O)CCCCCCNC(=O)C(CS)Cc1ccccc1Molecular Processing
Molecular formula
C18H27NO3S
Molecular weight
337.49
Exact mass
337.1712
XLogP
3.01
TPSA
55.4
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
95.6
Supplementary Information
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