SMILES:
COc1ccc(OC)c(-c2cn(N=C3CCc4c(C(=N)NO)cccc43)c(N)n2)c1.Cl.ClMolecular Processing
Molecular formula
C21H24Cl2N6O3
Molecular weight
479.37
Exact mass
478.1287
XLogP
3.5
TPSA
130.77
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
3
Fraction Csp3
0.19
Molar refractivity
128.12
Supplementary Information
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