Nombre: (4-amino-3′-chloro-biphenyl-3-yl) -propynyl-methanone
SMILES:
CC#CC(=O)c1cc(-c2cccc(Cl)c2)ccc1NMolecular Processing
Molecular formula
C16H12ClNO
Molecular weight
269.73
Exact mass
269.0607
XLogP
3.8
TPSA
43.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
79.08
Supplementary Information
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