Name: 2-(4-t-amyl-2-chlorophenoxy)octanoic acid
SMILES:
CCCCCCC(Oc1ccc(C(C)(C)CC)cc1Cl)C(=O)OMolecular Processing
Molecular formula
C19H29ClO3
Molecular weight
340.89
Exact mass
340.1805
XLogP
5.83
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
95.58
Supplementary Information
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