Name: 7-bromo-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid
SMILES:
O=C(O)C1=Cc2cc(Br)ccc2S(=O)(=O)CC1Molecular Processing
Molecular formula
C11H9BrO4S
Molecular weight
317.16
Exact mass
315.9405
XLogP
2.09
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
66.42
Supplementary Information
Details werden geladen…
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