이름: ( V )
SMILES:
CC(=O)OCC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CMolecular Processing
Molecular formula
C24H29NO5
Molecular weight
411.5
Exact mass
411.2046
XLogP
2.76
TPSA
104.46
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
107.62
Supplementary Information
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