Molecule

ID:44586

General Information
Structure
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,7H,11H2,1H3
InChIKey
RZSVLKAIDMAXLB-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N)C#N
Isomeric Smiles
c1c(ccc(c1)C(C)C#N)N
Calculated Properties
JChem
Acid pKa
15.220473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.360898
LogD (pH = 7.4)
1.3827178
Log P
1.3830034
Molar Refractivity
45.6198
Polarizability
16.836733
Polar Surface Area
49.81
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