SMILES:
CCOc1ccccc1CC(O)(c1ccccc1)C1CN(Cc2ccccc2)CCO1Molecular Processing
Molecular formula
C27H31NO3
Molecular weight
417.55
Exact mass
417.2304
XLogP
4.42
TPSA
41.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
123.11
Supplementary Information
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