이름: N-(3-amino-4-chloro-2-fluoro-benzyl)-2,2-dimethyl-propionamide
SMILES:
CC(C)(C)C(=O)NCc1ccc(Cl)c(N)c1FMolecular Processing
Molecular formula
C12H16ClFN2O
Molecular weight
258.72
Exact mass
258.0935
XLogP
2.72
TPSA
55.12
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
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
0.417
Molar refractivity
67.12
Supplementary Information
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