Molecule

ID:13445

General Information
Structure
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
InChIKey
KEPUOYACJXZYTQ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(N)cc2)CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6042123
LogD (pH = 7.4)
0.49566638
Log P
1.4562912
Molar Refractivity
65.9857
Polarizability
24.470936
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