Molecule

ID:78891

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Br₂N
Molecular Mass
292.99834
Exact Mass
290.92582336
Charge
0
InChI
InChI=1S/C9H11Br2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3
InChIKey
DTMCGFMOLUVBPL-UHFFFAOYSA-N
Canonic Smiles
CCCc1cc(Br)c(c(c1)Br)N
Isomeric Smiles
Nc1c(cc(cc1Br)CCC)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0838943
LogD (pH = 7.4)
4.084378
Log P
4.084384
Molar Refractivity
60.2472
Polarizability
22.646904
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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