SMILES:
NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCCCc1ccc(OCC(=O)N(CCO)CCO)cc1Molecular Processing
Molecular formula
C22H31ClN8O5
Molecular weight
522.99
Exact mass
522.2106
XLogP
-0.45
TPSA
215.3
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
36
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
135.45
Supplementary Information
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