SMILES:
CNCCCCCCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=OMolecular Processing
Molecular formula
C28H35N3O3
Molecular weight
461.61
Exact mass
461.2678
XLogP
5.48
TPSA
77.59
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
137.3
Supplementary Information
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