Name: methyl 7-chloro-3-oxo-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate
SMILES:
COC(=O)C1Sc2cc(Cl)ccc2OCC1=OMolecular Processing
Molecular formula
C11H9ClO4S
Molecular weight
272.71
Exact mass
271.991
XLogP
1.94
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
63.62
Supplementary Information
Details werden geladen…
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