SMILES:
Nc1nc(Cl)c2ncn(C3COC(COC(=O)c4ccccc4)O3)c2n1Molecular Processing
Molecular formula
C16H14ClN5O4
Molecular weight
375.77
Exact mass
375.0734
XLogP
1.79
TPSA
114.38
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
91.33
Supplementary Information
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