SMILES:
Cc1cc(-c2nn(CC(O)CN3CCN(c4ccccc4C#N)CC3)c3c2CNCC3)ccc1ClMolecular Processing
Molecular formula
C27H31ClN6O
Molecular weight
491.04
Exact mass
490.2248
XLogP
3.21
TPSA
80.35
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
138.64
Supplementary Information
Récupération des détails…
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