SMILES:
COc1ccc(-c2oc3cc(OC)ccc3c2C(O)c2ccc(OCCN(C)C)cc2)cc1Molecular Processing
Molecular formula
C27H29NO5
Molecular weight
447.53
Exact mass
447.2046
XLogP
5.14
TPSA
64.3
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
129.31
Supplementary Information
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