Molecule

ID:20864

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO
Molecular Mass
292.5999
Exact Mass
291.00255379
Charge
0
InChI
InChI=1S/C11H14BrNO.ClH/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11;/h1,3-4,7,11,13H,2,5-6,8H2;1H
InChIKey
OGFFOJZJLMJTRW-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2cccc(c2)Br)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4807999
LogD (pH = 7.4)
0.64770395
Log P
2.6854882
Molar Refractivity
60.0796
Polarizability
23.749466
Polar Surface Area
21.26
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