SMILES:
CCCc1c(OCCCCCBr)ccc(Cl)c1ClMolecular Processing
Molecular formula
C14H19BrCl2O
Molecular weight
354.12
Exact mass
351.9996
XLogP
5.89
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
83.6
Supplementary Information
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