Molecule

ID:59480

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrN
Molecular Mass
240.13956
Exact Mass
239.03096145
Charge
0
InChI
InChI=1S/C11H14BrN/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChIKey
HDIGDQKZWCNWPI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1CN1CCCC1
Isomeric Smiles
c1(CN2CCCC2)c(Br)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6674655
LogD (pH = 7.4)
2.4257379
Log P
3.0891926
Molar Refractivity
59.7645
Polarizability
23.023716
Polar Surface Area
3.24
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