Molecule
ID:120457
General Information
Molecular Formula
C₁₁H₁₂Br₂O
Molecular Mass
320.02038
Exact Mass
317.925489
Charge
0
InChI
InChI=1S/C11H12Br2O/c1-10(7-11(10,12)13)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3
InChIKey
NWFRTSLXRDGBHY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(C)CC1(Br)Br
Isomeric Smiles
C1(C(C1)(c1ccc(cc1)OC)C)(Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4965456
LogD (pH = 7.4)
3.4965456
Log P
3.4965456
Molar Refractivity
65.1865
Polarizability
24.974577
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...