SMILES:
CN1CCN(c2ccccc2C(O)C2SCCNC2=O)CC1Molecular Processing
Molecular formula
C16H23N3O2S
Molecular weight
321.45
Exact mass
321.1511
XLogP
0.7
TPSA
55.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
90.37
Supplementary Information
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