SMILES:
O=C1OCCC12Sc1cc(Cl)ccc1C2=OMolecular Processing
Molecular formula
C11H7ClO3S
Molecular weight
254.69
Exact mass
253.9804
XLogP
2.31
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
59.95
Supplementary Information
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