SMILES:
O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCCN(S(=O)(=O)c2cccs2)C1Molecular Processing
Molecular formula
C17H17N5O3S2
Molecular weight
403.49
Exact mass
403.0773
XLogP
2.29
TPSA
103.85
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
103.56
Supplementary Information
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