SMILES:
CCCc1c(OCc2ccc(CCBr)cc2)ccc(C(C)=O)c1OMolecular Processing
Molecular formula
C20H23BrO3
Molecular weight
391.31
Exact mass
390.0831
XLogP
5.06
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.38
Supplementary Information
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