SMILES:
COC(=O)c1ccc(C=Cc2ccc(C(=O)OC)cc2Br)cc1Molecular Processing
Molecular formula
C18H15BrO4
Molecular weight
375.22
Exact mass
374.0154
XLogP
4.19
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
92.19
Supplementary Information
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