Name: 1-[3-amino-5-(tert-butyl)-4-methoxyphenyl]-1-ethanone
SMILES:
COc1c(N)cc(C(C)=O)cc1C(C)(C)CMolecular Processing
Molecular formula
C13H19NO2
Molecular weight
221.3
Exact mass
221.1416
XLogP
2.78
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
66.11
Supplementary Information
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