Molecule

ID:71809

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-5-12-13(8-1)9-4-10-2-6-11-7-3-10/h1,5,8,10-11H,2-4,6-7,9H2
InChIKey
PMCPBDFLUJGCTN-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCn1cccn1
Isomeric Smiles
C1CNCCC1CCn1nccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.359643
LogD (pH = 7.4)
-1.9031411
Log P
0.87207973
Molar Refractivity
64.6138
Polarizability
20.745037
Polar Surface Area
29.85
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