Name: methyl 2-chloro-5a,6,7, 8,9,9a-hexahydrodibenzofuran-4-carboxylate
SMILES:
COC(=O)c1cc(Cl)cc2c1OC1CCCCC21Molecular Processing
Molecular formula
C14H15ClO3
Molecular weight
266.72
Exact mass
266.071
XLogP
3.55
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.42
Supplementary Information
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