이름: 5-octadecyloxy-2-thiophenecarboxylic acid
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)O)s1Molecular Processing
Molecular formula
C23H40O3S
Molecular weight
396.64
Exact mass
396.2698
XLogP
8.09
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
19
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.783
Molar refractivity
116.32
Supplementary Information
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