Molecule

ID:73436

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12,16H2
InChIKey
UJTDSOLEQLKCHP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1NC/C=C/c1ccccc1
Isomeric Smiles
N(c1ccccc1N)C/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8739045
LogD (pH = 7.4)
2.9504185
Log P
2.9514868
Molar Refractivity
75.8834
Polarizability
27.63538
Polar Surface Area
38.05
Rotatable Bonds
4
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