SMILES:
Cc1nn(CCc2ccccc2)c2c1C(=NNC(=N)N)CC(c1ccccc1Cl)C2.ClMolecular Processing
Molecular formula
C23H26Cl2N6
Molecular weight
457.41
Exact mass
456.1596
XLogP
4.43
TPSA
92.08
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
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
0.261
Molar refractivity
128.46
Supplementary Information
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