Nombre: compound
SMILES:
COc1cc(Cl)ccc1C(O)C1CC1C#NMolecular Processing
Molecular formula
C12H12ClNO2
Molecular weight
237.69
Exact mass
237.0557
XLogP
2.54
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.17
Supplementary Information
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