Molecule

ID:69115

General Information
Structure
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7,11H2
InChIKey
FEWQWMKPPJZYCQ-UHFFFAOYSA-N
Canonic Smiles
NCc1nccc2c1cccc2
Isomeric Smiles
C(N)c1nccc2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8886697
LogD (pH = 7.4)
-0.4406374
Log P
0.9522905
Molar Refractivity
48.3025
Polarizability
20.421457
Polar Surface Area
38.91
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