이름: (2S, 4S)-1-N-Dodecyl-4-(4-iodophenoxy)pyrrolidine-2-carboxylic acid, methyl ester
SMILES:
CCCCCCCCCCCCN1C[C@@H](Oc2ccc(I)cc2)C[C@H]1C(=O)OCMolecular Processing
Molecular formula
C24H38INO3
Molecular weight
515.48
Exact mass
515.1896
XLogP
6.21
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
127.41
Supplementary Information
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