SMILES:
Cc1nn(Cc2ccccc2)c2c1C(=NNC(=N)N)CC(c1ccccc1Cl)C2.ClMolecular Processing
Molecular formula
C22H24Cl2N6
Molecular weight
443.38
Exact mass
442.144
XLogP
4.23
TPSA
92.08
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.227
Molar refractivity
123.86
Supplementary Information
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