SMILES:
CCC(=O)c1ccc(CC(C)C)cc1Molecular Processing
Molecular formula
C13H18O
Molecular weight
190.29
Exact mass
190.1358
XLogP
3.48
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.61
Supplementary Information
Obteniendo detalles…
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