Molecule

ID:35843

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-15-8-5-11(6-9-15)14-10-12-4-2-3-7-13-12/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKey
SCFPQNGHMLSYHX-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCc1ccccn1
Isomeric Smiles
N1(CCC(NCc2ncccc2)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.042333
LogD (pH = 7.4)
-1.5955068
Log P
0.42220023
Molar Refractivity
62.078
Polarizability
24.664
Polar Surface Area
28.16
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