SMILES:
COC1CN(c2ccc(C#CC3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)CC1ClMolecular Processing
Molecular formula
C26H30ClN3O2
Molecular weight
452
Exact mass
451.2027
XLogP
2.92
TPSA
48.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
127.13
Supplementary Information
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