SMILES:
CC1=C(C(=O)Nc2ccccn2)SC2=NCCCN21.Cl.ClMolecular Processing
Molecular formula
C13H16Cl2N4OS
Molecular weight
347.27
Exact mass
346.0422
XLogP
2.9
TPSA
57.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.308
Molar refractivity
91.28
Supplementary Information
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