SMILES:
OC(c1ccc(Cl)cc1)c1ccc(OCCCCCCCCBr)cc1Molecular Processing
Molecular formula
C21H26BrClO2
Molecular weight
425.79
Exact mass
424.0805
XLogP
6.54
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
11
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
108.95
Supplementary Information
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