SMILES:
O=C1N(c2ccc(C#CC3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)CCC12OCCO2Molecular Processing
Molecular formula
C27H29N3O4
Molecular weight
459.55
Exact mass
459.2158
XLogP
1.96
TPSA
75.13
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
34
Rings
7
Aromatic rings
2
Saturated rings
5
Aliphatic rings
5
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
126.08
Supplementary Information
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