SMILES:
Cc1sc2nc(-c3ccno3)nc(NCc3ccccc3)c2c1CMolecular Processing
Molecular formula
C18H16N4OS
Molecular weight
336.42
Exact mass
336.1045
XLogP
4.58
TPSA
63.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
96.15
Supplementary Information
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