SMILES:
CC(=O)OC(C(Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)CClMolecular Processing
Molecular formula
C16H19Cl2N3O3
Molecular weight
372.25
Exact mass
371.0803
XLogP
3.71
TPSA
66.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
91.19
Supplementary Information
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