SMILES:
COc1ccn(-c2nc(C)c(C(=O)O)s2)c(=O)c1Molecular Processing
Molecular formula
C11H10N2O4S
Molecular weight
266.28
Exact mass
266.0361
XLogP
1.31
TPSA
81.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
65.96
Supplementary Information
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