Molecule

ID:44405

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClNO₂
Molecular Mass
280.54614
Exact Mass
278.96616828
Charge
0
InChI
InChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H
InChIKey
UYQXPUQVLSXOMR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1cccc(c1)Br)N.Cl
Isomeric Smiles
C(=O)(C(c1cc(Br)ccc1)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.56175107
LogD (pH = 7.4)
1.6376988
Log P
1.7036005
Molar Refractivity
52.7532
Polarizability
20.976599
Polar Surface Area
52.32
Rotatable Bonds
3
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