SMILES:
Clc1nc(Cl)c2ncn(C3CCSC3)c2n1Molecular Processing
Molecular formula
C9H8Cl2N4S
Molecular weight
275.16
Exact mass
273.9847
XLogP
2.81
TPSA
43.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
66.32
Supplementary Information
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