SMILES:
CCc1ccc(Cc2cccc3cc(CO)c(Br)cc23)cc1Molecular Processing
Molecular formula
C20H19BrO
Molecular weight
355.28
Exact mass
354.0619
XLogP
5.25
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
96.2
Supplementary Information
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