Molecule

ID:58095

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃
Molecular Mass
205.2314832
Exact Mass
205.10152562
Charge
0
InChI
InChI=1S/C11H12FN3/c1-7-5-8(2)15(14-7)11-4-3-9(13)6-10(11)12/h3-6H,13H2,1-2H3
InChIKey
SOMUJVAHUCSAPU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)n1nc(cc1C)C
Isomeric Smiles
c1c(c(ccc1N)n1nc(cc1C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6820805
LogD (pH = 7.4)
1.7034919
Log P
1.7037718
Molar Refractivity
59.0777
Polarizability
21.722046
Polar Surface Area
43.84
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