SMILES:
COC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1sccc1-2Molecular Processing
Molecular formula
C14H13N3O3S
Molecular weight
303.34
Exact mass
303.0678
XLogP
2.01
TPSA
64.43
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
75.79
Supplementary Information
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