Name: 4-hexyloxy-3-fluorobenzoic acid 4-[3-(trans-4-pentylcyclohexyl)-1-propyloxy]phenyl ester
SMILES:
CCCCCCOc1ccc(C(=O)Oc2ccc(OCCC[C@H]3CC[C@H](CCCCC)CC3)cc2)cc1FMolecular Processing
Molecular formula
C33H47FO4
Molecular weight
526.73
Exact mass
526.3458
XLogP
9.55
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
17
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.606
Molar refractivity
151.76
Supplementary Information
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