Molecule

ID:9434

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉N
Molecular Mass
179.21726
Exact Mass
179.07349929
Charge
0
InChI
InChI=1S/C13H9N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H
InChIKey
WLPATYNQCGVFFH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1c1ccccc1
Isomeric Smiles
c1ccc(cc1)c1c(cccc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4765673
LogD (pH = 7.4)
3.4765673
Log P
3.4765673
Molar Refractivity
56.9158
Polarizability
23.275597
Polar Surface Area
23.79
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