COc1cc(CO)cc(Cl)c1O
Nombre: 3-chloro-4-hydroxy-5-methoxybenzyl alcohol
SMILES: COc1cc(CO)cc(Cl)c1O

Molecular Processing

Molecular formula
C8H9ClO3
Molecular weight
188.61
Exact mass
188.024
XLogP
1.55
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.59

Supplementary Information

Obteniendo detalles…

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