الاسم: 1-azido-3-(4-fluoro-3-methoxyphenyl)-3-methylbutan-2-one
SMILES:
COc1cc(C(C)(C)C(=O)CN=[N+]=[N-])ccc1FMolecular Processing
Molecular formula
C12H14FN3O2
Molecular weight
251.26
Exact mass
251.107
XLogP
2.99
TPSA
75.06
H-bond donors
0
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
65
Supplementary Information
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