الاسم: N-[(1S,2R,3S,4R)-4-(2,6-Dichloro-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide
SMILES:
CCC(=O)N[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C13H15Cl2N5O3
Molecular weight
360.2
Exact mass
359.0552
XLogP
0.69
TPSA
113.16
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
83.23
Supplementary Information
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