Nom: (E)-3-[6-[N-(methoxycarbonylmethyl)amino]pyridin-3-yl]acrylic acid hydrochloride salt
SMILES:
COC(=O)CNc1ccc(/C=C/C(=O)O)cn1.ClMolecular Processing
Molecular formula
C11H13ClN2O4
Molecular weight
272.69
Exact mass
272.0564
XLogP
1.19
TPSA
88.52
H-bond donors
2
H-bond acceptors
5
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
2
Fraction Csp3
0.182
Molar refractivity
68.66
Supplementary Information
No supplementary data available
Impliqué dans 9 réactions→