CCCCCC(C)(O)C=CC1CCC(=O)C1CCCCCCC(=O)O
SMILES: CCCCCC(C)(O)C=CC1CCC(=O)C1CCCCCCC(=O)O

Molecular Processing

Molecular formula
C21H36O4
Molecular weight
352.52
Exact mass
352.2614
XLogP
4.89
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
13
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
100.46

Supplementary Information

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