Nombre: 6-(5-bromo-pyridin-3-carbonyl)-4-methyl-3H-benzoxazol-2-one
SMILES:
Cc1cc(C(=O)c2cncc(Br)c2)cc2oc(=O)[nH]c12Molecular Processing
Molecular formula
C14H9BrN2O3
Molecular weight
333.14
Exact mass
331.9797
XLogP
2.82
TPSA
75.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
76.94
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→