Nombre: 6-chloro-1-(2-chloroethyl)isochroman
SMILES:
ClCCC1OCCc2cc(Cl)ccc21Molecular Processing
Molecular formula
C11H12Cl2O
Molecular weight
231.12
Exact mass
230.0265
XLogP
3.58
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
59.19
Supplementary Information
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