SMILES:
COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCOC(=O)C(C)(C)C(=O)OC3CCCCC3)n(-c3ncccn3)n2)c1Molecular Processing
Molecular formula
C41H51FN8O10
Molecular weight
834.9
Exact mass
834.3712
XLogP
5.45
TPSA
233.72
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
17
Heavy atoms
60
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.463
Molar refractivity
214.25
Supplementary Information
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