SMILES:
Cl.Cl.N=C(N)c1cccc2c1CCC2=NN1CCN=C1NMolecular Processing
Molecular formula
C13H18Cl2N6
Molecular weight
329.24
Exact mass
328.097
XLogP
1.09
TPSA
103.85
H-bond donors
3
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
90.01
Supplementary Information
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