COC(=O)[C@@H]1N2C(=O)[C@@H](N)[C@H]2SC1(C)C
SMILES: COC(=O)[C@@H]1N2C(=O)[C@@H](N)[C@H]2SC1(C)C

Molecular Processing

Molecular formula
C9H14N2O3S
Molecular weight
230.29
Exact mass
230.0725
XLogP
-0.45
TPSA
72.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
56.08

Supplementary Information

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