SMILES:
CC(CO)OCC(Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1Molecular Processing
Molecular formula
C21H19Cl2N7O4
Molecular weight
504.33
Exact mass
503.0876
XLogP
2.7
TPSA
137.17
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
124.26
Supplementary Information
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