COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cncc(C(=O)O)c1.Cl.Cl
SMILES: COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cncc(C(=O)O)c1.Cl.Cl

Molecular Processing

Molecular formula
C22H23Cl3N6O3
Molecular weight
525.82
Exact mass
524.0897
XLogP
4.9
TPSA
129.04
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
3
Fraction Csp3
0.227
Molar refractivity
135.71

Supplementary Information

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