Nc1nc(C#CCC2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)nc2c1ncn2C1OC(CO)C(O)C1O
SMILES: Nc1nc(C#CCC2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)nc2c1ncn2C1OC(CO)C(O)C1O

Molecular Processing

Molecular formula
C26H29N7O8
Molecular weight
567.56
Exact mass
567.2078
XLogP
0.72
TPSA
212.22
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
141.82

Supplementary Information

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