Molecule

ID:57383

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃FN₂
Molecular Mass
168.2113232
Exact Mass
168.10627665
Charge
0
InChI
InChI=1S/C9H13FN2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,12H,5-7,11H2
InChIKey
DJZGMJOPGORZNB-UHFFFAOYSA-N
Canonic Smiles
NCCNCc1ccccc1F
Isomeric Smiles
c1cccc(c1F)CNCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0645542
LogD (pH = 7.4)
-1.1641395
Log P
0.8773128
Molar Refractivity
47.4722
Polarizability
18.549368
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