SMILES:
N=C(N)Nc1ncc(C(=O)Nc2ccc(OCC(=O)O)cc2)s1Molecular Processing
Molecular formula
C13H13N5O4S
Molecular weight
335.35
Exact mass
335.0688
XLogP
1.16
TPSA
150.42
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
85.18
Supplementary Information
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