SMILES:
O=C1N(Cc2cccc(-n3nccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2Molecular Processing
Molecular formula
C26H27N7O
Molecular weight
453.55
Exact mass
453.2277
XLogP
3.62
TPSA
80.04
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
129.43
Supplementary Information
Récupération des détails…
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