Molecule

ID:30607

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c1-2-6-13-11(4-1)10-14-8-3-5-12-7-9-14/h1-2,4,6,12H,3,5,7-10H2
InChIKey
ZXINKXGHIZTUQX-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)Cc1ccccn1
Isomeric Smiles
N1(Cc2ncccc2)CCCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4690351
LogD (pH = 7.4)
-2.2284443
Log P
0.30247343
Molar Refractivity
57.5424
Polarizability
22.81802
Polar Surface Area
28.16
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