Molecule

ID:22376

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
InChIKey
ATUSBQCZIPECGZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccnc1N1CCNCCC1
Isomeric Smiles
N1(CCNCCC1)c1c(cccn1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8474821
LogD (pH = 7.4)
-0.680659
Log P
1.4955275
Molar Refractivity
59.3052
Polarizability
22.34557
Polar Surface Area
28.16
Rotatable Bonds
1
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