Name: butyl (2E)-3-(3-amino-5-fluoropyridin-2-yl)acrylate
SMILES:
CCCCOC(=O)/C=C/c1ncc(F)cc1NMolecular Processing
Molecular formula
C12H15FN2O2
Molecular weight
238.26
Exact mass
238.1118
XLogP
2.16
TPSA
65.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
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
0.333
Molar refractivity
63.51
Supplementary Information
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