이름: 2-[(6-trifluoromethylpyridin-2-ylamino)methylene]malonic acid diethyl ester
SMILES:
CCOC(=O)C(=CNc1cccc(C(F)(F)F)n1)C(=O)OCCMolecular Processing
Molecular formula
C14H15F3N2O4
Molecular weight
332.28
Exact mass
332.0984
XLogP
2.52
TPSA
77.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
74.21
Supplementary Information
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