Molecule

ID:81202

General Information
Structure
MolImage
Molecular Formula
C₈H₉Br₃O₂
Molecular Mass
376.86786
Exact Mass
373.81526553
Charge
0
InChI
InChI=1S/C8H9Br3O2/c1-8(2)6(10)4(12)3(9)5(13)7(8)11/h3,6-7H,1-2H3
InChIKey
UWWRZBDXGUUGIN-UHFFFAOYSA-N
Canonic Smiles
BrC1C(=O)C(Br)C(C(C1=O)Br)(C)C
Isomeric Smiles
O=C1C(C(=O)C(C(C1Br)(C)C)Br)Br
Calculated Properties
JChem
Acid pKa
1.0389848
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.823537
LogD (pH = 7.4)
0.806209
Log P
3.8827631
Molar Refractivity
60.0824
Polarizability
23.918976
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation