Molecule

ID:60480

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)7-2-1-3-8(6-7)16-9(18)4-5-10(19)17-15/h1-3,6H,4-5,15H2,(H,16,18)(H,17,19)
InChIKey
OWPAJNNZKYAXSL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCC(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NC(=O)CCC(=O)NN)ccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
11.302006
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.80896837
LogD (pH = 7.4)
0.8101839
Log P
0.8102491
Molar Refractivity
64.0943
Polarizability
22.816404
Polar Surface Area
84.22
Rotatable Bonds
5
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