Molecule
ID:81471
General Information
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5H2
InChIKey
LFIASOWXJLMZNB-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C1CCCCC1)C#N
Isomeric Smiles
N#CC(=C1CCCCC1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0693977
LogD (pH = 7.4)
2.0693977
Log P
2.0693977
Molar Refractivity
43.2806
Polarizability
16.018988
Polar Surface Area
47.58
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...