SMILES:
Cl.Cl.O=C(NCCCSc1ccncc1)c1cnccn1Molecular Processing
Molecular formula
C13H16Cl2N4OS
Molecular weight
347.27
Exact mass
346.0422
XLogP
2.63
TPSA
67.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.231
Molar refractivity
88.44
Supplementary Information
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