Name: 3-[(E)-(4-bromo-2-pyridyl)methyleneamino]-1-methyl-pyrrolidin-2-one
SMILES:
CN1CCC(/N=C/c2cc(Br)ccn2)C1=OMolecular Processing
Molecular formula
C11H12BrN3O
Molecular weight
282.14
Exact mass
281.0164
XLogP
1.49
TPSA
45.56
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
65.57
Supplementary Information
Details werden geladen…
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