Molecule

ID:21052

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrClNO
Molecular Mass
278.57332
Exact Mass
276.98690372
Charge
0
InChI
InChI=1S/C10H12BrNO.ClH/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10;/h1-3,6,10,12H,4-5,7H2;1H
InChIKey
CBHYADKFFREZNK-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cccc(c2)Br)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0620099
LogD (pH = 7.4)
-0.5685788
Log P
2.1681256
Molar Refractivity
55.435
Polarizability
21.92644
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