이름: methyl 4-methoxy-3-oxo-2-[(2,2,6-trifluoro-1,3-benzodioxol-5-yl)hydrazono]butanoate
SMILES:
COCC(=O)C(=NNc1cc2c(cc1F)OC(F)(F)O2)C(=O)OCMolecular Processing
Molecular formula
C13H11F3N2O6
Molecular weight
348.23
Exact mass
348.0569
XLogP
1.3
TPSA
95.45
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
72.56
Supplementary Information
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