SMILES:
CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2Molecular Processing
Molecular formula
C29H47NO3
Molecular weight
457.7
Exact mass
457.3556
XLogP
5.51
TPSA
75.71
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
33
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.793
Molar refractivity
134.57
Supplementary Information
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