Molecule

ID:100966

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Br₂N₂O
Molecular Mass
340.05484
Exact Mass
337.96293714
Charge
0
InChI
InChI=1S/C10H14N2O.2BrH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKey
IRGIAGAHMWSRKP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)N1CCNCC1.Br.Br
Isomeric Smiles
N1(c2ccc(cc2)O)CCNCC1.Br.Br
Calculated Properties
JChem
Acid pKa
10.3171215
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7720954
LogD (pH = 7.4)
-0.26652226
Log P
1.0325403
Molar Refractivity
53.2229
Polarizability
20.234575
Polar Surface Area
35.5
Rotatable Bonds
1
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