SMILES:
COc1ccc(C(OC(c2ccccc2)C2CNCC2O)c2ccc(OC)cc2)cc1Molecular Processing
Molecular formula
C26H29NO4
Molecular weight
419.52
Exact mass
419.2097
XLogP
4.13
TPSA
59.95
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
120.47
Supplementary Information
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