SMILES:
COc1cc2c(c(Cl)c1Cl)C(=O)C(C)(c1ccc(Br)cc1)C2Molecular Processing
Molecular formula
C17H13BrCl2O2
Molecular weight
400.1
Exact mass
397.9476
XLogP
5.46
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
92.54
Supplementary Information
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Involved in 7 reactions→