Molecule

ID:48510

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-3-4-8-13(2)10-9(11)6-5-7-12-10/h5-7H,3-4,8,11H2,1-2H3
InChIKey
XXRPJFLJAIAIIT-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ncccc1N)C
Isomeric Smiles
c1(ncccc1N)N(CCCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7261442
LogD (pH = 7.4)
1.8011299
Log P
1.9530479
Molar Refractivity
57.2172
Polarizability
20.92064
Polar Surface Area
42.15
Rotatable Bonds
4
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