Cc1ccc2nc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)nnc2c1
SMILES: Cc1ccc2nc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)nnc2c1

Molecular Processing

Molecular formula
C21H22ClN3O5
Molecular weight
431.88
Exact mass
431.1248
XLogP
1.09
TPSA
128.82
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
109.05

Supplementary Information

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