SMILES:
COc1ccccc1OC(=O)N1CCC(CC#Cc2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2)CC1Molecular Processing
Molecular formula
C26H30N6O7
Molecular weight
538.56
Exact mass
538.2176
XLogP
0.68
TPSA
178.31
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
137.55
Supplementary Information
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