SMILES:
CCC(=O)OC1C(COC(C)=O)OC(n2cc([N+](=O)[O-])c3c(NCC(=O)OC)ncnc32)C1OC(C)=OMolecular Processing
Molecular formula
C21H25N5O11
Molecular weight
523.46
Exact mass
523.1551
XLogP
0.64
TPSA
200.31
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
10
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
120.96
Supplementary Information
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