Название: Carboxylic acid
SMILES:
C=C[C@H](NC(=O)OCc1ccccc1)C(=O)OCMolecular Processing
Molecular formula
C13H15NO4
Molecular weight
249.27
Exact mass
249.1001
XLogP
1.64
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
65.76
Supplementary Information
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