Nombre: ( 3 )
SMILES:
CC(=O)Nc1ccc(Cl)c2c1C(=O)C(C#N)CC2Molecular Processing
Molecular formula
C13H11ClN2O2
Molecular weight
262.7
Exact mass
262.0509
XLogP
2.57
TPSA
69.96
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
67.51
Supplementary Information
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