Molecule

ID:75960

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇BrN₂
Molecular Mass
269.18078
Exact Mass
268.05751055
Charge
0
InChI
InChI=1S/C12H17BrN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2
InChIKey
PUTBARDRYLXING-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)CN1CCNCCC1
Isomeric Smiles
Brc1ccc(cc1)CN1CCCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.334217
LogD (pH = 7.4)
-0.3121299
Log P
2.2074265
Molar Refractivity
67.8443
Polarizability
26.383453
Polar Surface Area
15.27
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