Molecule

ID:20586

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂O
Molecular Mass
299.20676
Exact Mass
298.06807524
Charge
0
InChI
InChI=1S/C13H19BrN2O/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9,15H2
InChIKey
RMPRHRMTDJIEGB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)N)OCCN1CCCCC1
Isomeric Smiles
c1(cc(ccc1OCCN1CCCCC1)Br)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.41036573
LogD (pH = 7.4)
1.2933387
Log P
2.6244118
Molar Refractivity
75.0055
Polarizability
28.566723
Polar Surface Area
38.49
Rotatable Bonds
4
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