SMILES:
CC1(O)C(O)C(CO)OC1n1cc(Cl)c2c(N)ncnc21Molecular Processing
Molecular formula
C12H15ClN4O4
Molecular weight
314.73
Exact mass
314.0782
XLogP
-0.33
TPSA
126.65
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.58
Supplementary Information
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