SMILES:
CCc1ccc(C(=O)c2ccc(OC)cc2Br)cc1Molecular Processing
Molecular formula
C16H15BrO2
Molecular weight
319.2
Exact mass
318.0255
XLogP
4.25
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
79.95
Supplementary Information
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