SMILES:
O[C@]1(C#Cc2ccc(N3CCC4(C3)OCCO4)nc2Cc2ccccc2)CN2CCC1CC2Molecular Processing
Molecular formula
C27H31N3O3
Molecular weight
445.56
Exact mass
445.2365
XLogP
2.43
TPSA
58.06
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
33
Rings
7
Aromatic rings
2
Saturated rings
5
Aliphatic rings
5
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
125.94
Supplementary Information
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