SMILES:
N#Cc1sc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(CO)cc23)nc1NMolecular Processing
Molecular formula
C19H16Cl2N8OS
Molecular weight
475.37
Exact mass
474.0545
XLogP
3.63
TPSA
137.18
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
122.59
Supplementary Information
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