SMILES:
Cl.Cl.N=C(N)c1cccc2c1CCC2=Nn1ccnc1NMolecular Processing
Molecular formula
C13H16Cl2N6
Molecular weight
327.22
Exact mass
326.0813
XLogP
1.79
TPSA
106.07
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.154
Molar refractivity
88.85
Supplementary Information
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