Name: compound
SMILES:
COC(=O)c1cc(CBr)cc(-c2ccccc2Cl)c1Molecular Processing
Molecular formula
C15H12BrClO2
Molecular weight
339.62
Exact mass
337.9709
XLogP
4.69
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
80.86
Supplementary Information
Details werden geladen…
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