CCc1nnc(NC(=O)Oc2ccccc2)s1
SMILES: CCc1nnc(NC(=O)Oc2ccccc2)s1

Molecular Processing

Molecular formula
C11H11N3O2S
Molecular weight
249.3
Exact mass
249.0572
XLogP
2.71
TPSA
64.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
65.38

Supplementary Information

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