Molecule

ID:76198

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)11-13(14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3
InChIKey
UXNGEVJNOQJIJW-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CN1CCN(CC1)C
Isomeric Smiles
N1(CC(c2ccccc2)N)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3535166
LogD (pH = 7.4)
-1.2602373
Log P
1.0245454
Molar Refractivity
68.2708
Polarizability
27.11674
Polar Surface Area
32.5
Rotatable Bonds
3
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