Name: product
SMILES:
CCOC(=O)C(Oc1ccc(CBr)cc1)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C18H17BrO5
Molecular weight
393.23
Exact mass
392.0259
XLogP
3.99
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
91.64
Supplementary Information
Details werden geladen…
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