SMILES:
COCCc1cc2c(cc1OCc1ccccc1)CCC1C2CCC2(C)C(O)CCC12Molecular Processing
Molecular formula
C28H36O3
Molecular weight
420.59
Exact mass
420.2664
XLogP
5.67
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
123.42
Supplementary Information
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