Molecule

ID:47710

General Information
Structure
Molecular Formula
C₈H₁₁FN₂
Molecular Mass
154.1847432
Exact Mass
154.09062658
Charge
0
InChI
InChI=1S/C8H11FN2/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3
InChIKey
LVAHUVKVINUZTF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N(C)C
Isomeric Smiles
c1(c(ccc(c1)F)N(C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3816942
LogD (pH = 7.4)
1.3948947
Log P
1.3950657
Molar Refractivity
45.4034
Polarizability
15.953888
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