Molecule

ID:52406

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5H2,1-2H3
InChIKey
XNSHCUIBMZSUGL-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(c(c1)C)C
Isomeric Smiles
c1(cc(c(cc1)C)C)CC#N
Calculated Properties
JChem
Acid pKa
14.674712
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6957858
LogD (pH = 7.4)
2.6957858
Log P
2.6957858
Molar Refractivity
46.4273
Polarizability
17.40007
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