Molecule

ID:37875

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃O
Molecular Mass
221.2308832
Exact Mass
221.09644024
Charge
0
InChI
InChI=1S/C11H12FN3O/c1-13-7-6-10-14-11(16-15-10)8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3
InChIKey
KAFGVKAKENKLHZ-UHFFFAOYSA-N
Canonic Smiles
CNCCc1noc(n1)c1ccc(cc1)F
Isomeric Smiles
N(CCc1nc(on1)c1ccc(cc1)F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0789382
LogD (pH = 7.4)
0.19504061
Log P
2.177138
Molar Refractivity
69.4502
Polarizability
22.36069
Polar Surface Area
50.95
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