Name: diethyl 2-methyl-2-(4-pyridylmethyl)malonate
SMILES:
CCOC(=O)C(C)(Cc1ccncc1)C(=O)OCCMolecular Processing
Molecular formula
C14H19NO4
Molecular weight
265.31
Exact mass
265.1314
XLogP
1.76
TPSA
65.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.31
Supplementary Information
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