SMILES:
C1=COc2cc(CN3CCN(c4ncccn4)CC3)ccc2O1.Cl.ClMolecular Processing
Molecular formula
C17H20Cl2N4O2
Molecular weight
383.28
Exact mass
382.0963
XLogP
2.88
TPSA
50.72
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.294
Molar refractivity
100.86
Supplementary Information
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