SMILES:
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(Cl)ncnc21Molecular Processing
Molecular formula
C12H14ClN3O4
Molecular weight
299.71
Exact mass
299.0673
XLogP
0.09
TPSA
100.63
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.16
Supplementary Information
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