SMILES:
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](C#N)[C@@H]2C(=O)CC1CCCCO1Molecular Processing
Molecular formula
C27H35NO4
Molecular weight
437.58
Exact mass
437.2566
XLogP
4.16
TPSA
87.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
119.2
Supplementary Information
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