Molecule

ID:116111

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-9-12-6-7-13(9)8-10-2-4-11-5-3-10/h6-7,10-11H,2-5,8H2,1H3
InChIKey
NYNAUDQASKDPGH-UHFFFAOYSA-N
Canonic Smiles
Cc1nccn1CC1CCNCC1
Isomeric Smiles
n1(c(ncc1)C)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9382567
LogD (pH = 7.4)
-2.7105134
Log P
0.30587554
Molar Refractivity
53.3246
Polarizability
20.672535
Polar Surface Area
29.85
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