SMILES:
Cc1sc2nc(-c3cccnc3)nc(Cl)c2c1ClMolecular Processing
Molecular formula
C12H7Cl2N3S
Molecular weight
296.18
Exact mass
294.9738
XLogP
4.37
TPSA
38.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
75.4
Supplementary Information
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