Molecule

ID:16992

General Information
Structure
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
InChIKey
JHIAOWGCGNMQKA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)c(N)ccc2
Isomeric Smiles
c12c(ccc(n2)C)cccc1N
Calculated Properties
JChem
Acid pKa
19.962847
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3699468
LogD (pH = 7.4)
1.4324841
Log P
1.4333447
Molar Refractivity
49.2712
Polarizability
19.929058
Polar Surface Area
38.91
Rotatable Bonds
0
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