SMILES:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)COc3ccncc3)CCC12Molecular Processing
Molecular formula
C26H37NO3
Molecular weight
411.59
Exact mass
411.2773
XLogP
5.05
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
115.96
Supplementary Information
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