SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccccc3OC)CC1)N(C)CC2Molecular Processing
Molecular formula
C28H31NO3
Molecular weight
429.56
Exact mass
429.2304
XLogP
5.54
TPSA
30.93
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
126.75
Supplementary Information
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