SMILES:
COC(=O)OC1CCN(C)C(=O)N1c1nnc(C2CC2)s1Molecular Processing
Molecular formula
C12H16N4O4S
Molecular weight
312.35
Exact mass
312.0892
XLogP
1.79
TPSA
84.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
74.28
Supplementary Information
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