SMILES:
Cl.OC[C@H]1O[C@@H](n2cnc3c(NCCn4ccnc4)ncnc32)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C15H20ClN7O4
Molecular weight
397.82
Exact mass
397.1265
XLogP
-0.83
TPSA
143.37
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.467
Molar refractivity
96.3
Supplementary Information
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