CCCCCC(O)C=CC1C(O)CC2OC(C(Br)CCCC(=O)OCCN(CC)CC)CC21
SMILES: CCCCCC(O)C=CC1C(O)CC2OC(C(Br)CCCC(=O)OCCN(CC)CC)CC21

Molecular Processing

Molecular formula
C26H46BrNO5
Molecular weight
532.56
Exact mass
531.2559
XLogP
4.46
TPSA
79.23
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
33
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.885
Molar refractivity
135.48

Supplementary Information

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