Molecule

ID:41909

General Information
Structure
Molecular Formula
C₁₁H₁₆FN₃
Molecular Mass
209.2632432
Exact Mass
209.13282575
Charge
0
InChI
InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
InChIKey
GOPUCAPKOUZKPS-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1F)N
Isomeric Smiles
N1(c2c(cc(cc2)N)F)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6248793
LogD (pH = 7.4)
0.98108655
Log P
1.2421852
Molar Refractivity
61.4535
Polarizability
22.269981
Polar Surface Area
32.5
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