COc1cc(C(C)(C)C(=O)CN)ccc1F.Cl
الاسم: 1-amino-3-(4-fluoro-3-methoxyphenyl)-3-methylbutan-2-one hydrochloride
SMILES: COc1cc(C(C)(C)C(=O)CN)ccc1F.Cl

Molecular Processing

Molecular formula
C12H17ClFNO2
Molecular weight
261.72
Exact mass
261.0932
XLogP
2.06
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
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
2
Fraction Csp3
0.417
Molar refractivity
67.29

Supplementary Information

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