Name: 2-(3-chloro-pyrazin-2-yl)-malonic acid diethyl ester
SMILES:
CCOC(=O)C(C(=O)OCC)c1nccnc1ClMolecular Processing
Molecular formula
C11H13ClN2O4
Molecular weight
272.69
Exact mass
272.0564
XLogP
1.34
TPSA
78.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
63.05
Supplementary Information
Details werden geladen…
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