Molecule
ID:108624
General Information
Molecular Formula
C₁₀H₆Br₂O
Molecular Mass
301.96204
Exact Mass
299.87853881
Charge
0
InChI
InChI=1S/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H
InChIKey
VKESFYLPKHQOOA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ccc(c2Br)O
Isomeric Smiles
Oc1c(Br)c2ccc(Br)cc2cc1
Calculated Properties
JChem
Acid pKa
7.9218526
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.195033
LogD (pH = 7.4)
4.0833826
Log P
4.1966624
Molar Refractivity
59.7347
Polarizability
24.03697
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...