SMILES:
CCCCCCCCCCCCCCCCCCOCC(O)COCCCc1cccnc1Molecular Processing
Molecular formula
C29H53NO3
Molecular weight
463.75
Exact mass
463.4025
XLogP
7.67
TPSA
51.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
25
Heavy atoms
33
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
0.828
Molar refractivity
139.75
Supplementary Information
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