SMILES:
COc1ccc(C=O)cc1C(C)CMolecular Processing
Molecular formula
C11H14O2
Molecular weight
178.23
Exact mass
178.0994
XLogP
2.63
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
52.47
Supplementary Information
Obteniendo detalles…
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