SMILES:
CCc1cc2c(Cl)nc(-c3cnccn3)nc2s1Molecular Processing
Molecular formula
C12H9ClN4S
Molecular weight
276.75
Exact mass
276.0236
XLogP
3.36
TPSA
51.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
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
0.167
Molar refractivity
72.83
Supplementary Information
Details werden geladen…
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