Molecule

ID:48452

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c16-11-13-6-3-9-17-15(13)18-10-4-7-12-5-1-2-8-14(12)18/h1-3,5-6,8-9H,4,7,10-11,16H2
InChIKey
YRMPQYYLEPEAOE-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(CN)cccn2)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.092510246
LogD (pH = 7.4)
1.4988567
Log P
2.6238585
Molar Refractivity
73.9815
Polarizability
28.269955
Polar Surface Area
42.15
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