SMILES:
CCC(=O)OC1C(COC(C)=O)OC(n2cc([N+](=O)[O-])c3c(N)ncnc32)C1OC(C)=OMolecular Processing
Molecular formula
C18H21N5O9
Molecular weight
451.39
Exact mass
451.1339
XLogP
0.64
TPSA
188
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
104.86
Supplementary Information
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