Molecule

ID:43124

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₃N₃O₂
Molecular Mass
275.2270896
Exact Mass
275.0881613
Charge
0
InChI
InChI=1S/C11H12F3N3O2/c12-11(13,14)8-3-5-16(6-4-8)10-2-1-9(7-15-10)17(18)19/h1-2,7-8H,3-6H2
InChIKey
GFUCCKWXVGIKJK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)N1CCC(CC1)C(F)(F)F
Isomeric Smiles
N1(CCC(CC1)C(F)(F)F)c1ccc(cn1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8125389
LogD (pH = 7.4)
2.812736
Log P
2.8127384
Molar Refractivity
63.5164
Polarizability
22.287697
Polar Surface Area
61.95
Rotatable Bonds
3
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