SMILES:
CCCCCCCCc1ccc2c(c1)CCCC(Br)C2=OMolecular Processing
Molecular formula
C19H27BrO
Molecular weight
351.33
Exact mass
350.1245
XLogP
5.87
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
93.51
Supplementary Information
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