Molecule

ID:7034

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂
Molecular Mass
232.27988
Exact Mass
232.10004839
Charge
0
InChI
InChI=1S/C16H12N2/c17-11-9-13-5-1-3-7-15(13)16-8-4-2-6-14(16)10-12-18/h1-8H,9-10H2
InChIKey
HUQBQMNLLVOXSZ-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccccc1c1ccccc1CC#N
Isomeric Smiles
c1cc(c(cc1)c1ccccc1CC#N)CC#N
Calculated Properties
JChem
Acid pKa
13.528801
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0118654
LogD (pH = 7.4)
3.0118651
Log P
3.0118654
Molar Refractivity
71.768
Polarizability
28.405737
Polar Surface Area
47.58
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