Name: 6-decanoyl-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid benzyl ester
SMILES:
CCCCCCCCCC(=O)c1ccc2c(c1)CCC(C(=O)OCc1ccccc1)C2Molecular Processing
Molecular formula
C28H36O3
Molecular weight
420.59
Exact mass
420.2664
XLogP
6.86
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
125.14
Supplementary Information
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