CC(C)COC1=CC(=O)C(Cc2ccc(Br)cc2)C1
名称: 5
SMILES: CC(C)COC1=CC(=O)C(Cc2ccc(Br)cc2)C1

Molecular Processing

Molecular formula
C16H19BrO2
Molecular weight
323.23
Exact mass
322.0568
XLogP
4.14
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
79.83

Supplementary Information

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