名称: compound 1F
SMILES:
CCOC(=O)C(C(=O)OCC)c1ccc(C#N)c(Cl)c1CMolecular Processing
Molecular formula
C15H16ClNO4
Molecular weight
309.75
Exact mass
309.0768
XLogP
2.73
TPSA
76.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
76.91
Supplementary Information
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