SMILES:
CCc1sc(Br)cc1C(Oc1ccc(C(=O)OC)cc1)C1CCCCC1Molecular Processing
Molecular formula
C21H25BrO3S
Molecular weight
437.4
Exact mass
436.0708
XLogP
6.56
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
109.12
Supplementary Information
Details werden geladen…
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