SMILES:
COC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2ccccc21Molecular Processing
Molecular formula
C27H31N3O
Molecular weight
413.57
Exact mass
413.2467
XLogP
4.63
TPSA
20.64
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
128.4
Supplementary Information
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