Molecule

ID:46168

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BrClNO
Molecular Mass
348.70622
Exact Mass
347.06515404
Charge
0
InChI
InChI=1S/C15H22BrNO.ClH/c1-2-12-5-6-15(14(16)10-12)18-9-7-13-4-3-8-17-11-13;/h5-6,10,13,17H,2-4,7-9,11H2,1H3;1H
InChIKey
NCNQHNUNAUIBCL-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)Br)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)CC)OCCC1CNCCC1)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8569227
LogD (pH = 7.4)
1.2329727
Log P
4.0912447
Molar Refractivity
79.3616
Polarizability
30.99717
Polar Surface Area
21.26
Rotatable Bonds
5
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