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)CO
Название: ( VI )
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)CO

Molecular Processing

Molecular formula
C22H27NO4
Molecular weight
369.46
Exact mass
369.194
XLogP
2.19
TPSA
98.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
98.07

Supplementary Information

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