Name: title compound
SMILES:
C#Cc1cn(C2OC(CO)C(O)C2(C)O)c2ncnc(NO)c12Molecular Processing
Molecular formula
C14H16N4O5
Molecular weight
320.31
Exact mass
320.1121
XLogP
-0.78
TPSA
132.89
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
23
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
0.429
Molar refractivity
78.5
Supplementary Information
Details werden geladen…
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