Molecule

ID:66733

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10,13H2,1H3
InChIKey
MZFQGKRIWIKPBT-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N1CCN(CC1)C
Isomeric Smiles
NCc1ccc(cc1)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3270464
LogD (pH = 7.4)
-1.739029
Log P
1.0541776
Molar Refractivity
65.0101
Polarizability
24.866354
Polar Surface Area
32.5
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