SMILES:
COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CNCC21Molecular Processing
Molecular formula
C27H29NO3
Molecular weight
415.53
Exact mass
415.2147
XLogP
3.47
TPSA
61.72
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
121.03
Supplementary Information
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