SMILES:
CCCc1cc(CC(C)(C)C)ccc1OCCCOc1ccc2c(c1)CC(C)(C(=O)O)O2Molecular Processing
Molecular formula
C27H36O5
Molecular weight
440.58
Exact mass
440.2563
XLogP
5.85
TPSA
64.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
126.02
Supplementary Information
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