Molecule

ID:47732

General Information
Structure
Molecular Formula
C₁₄H₁₃FN₂
Molecular Mass
228.2648232
Exact Mass
228.10627665
Charge
0
InChI
InChI=1S/C14H13FN2/c15-11-5-6-14(12(16)9-11)17-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8,16H2
InChIKey
TWDATFKLQLDJRT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)F)N)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9902303
LogD (pH = 7.4)
2.9905086
Log P
2.9905121
Molar Refractivity
67.6673
Polarizability
24.722698
Polar Surface Area
29.26
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