Nombre: 1-hydroxy-5-methoxy-3-(thiiran-2-ylmethoxy)-9H-xanthen-9-one
SMILES:
COc1cccc2c(=O)c3c(O)cc(OCC4CS4)cc3oc12Molecular Processing
Molecular formula
C17H14O5S
Molecular weight
330.36
Exact mass
330.0562
XLogP
3.15
TPSA
68.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
89.95
Supplementary Information
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