Molecule

ID:63095

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃F₃N₂O₂
Molecular Mass
226.1962296
Exact Mass
226.09291233
Charge
0
InChI
InChI=1S/C5H10N2O.C3H3F3O/c6-4-1-2-7-5(8)3-4;1-2(7)3(4,5)6/h4H,1-3,6H2,(H,7,8);1H3
InChIKey
RWQLYNLVLMIRQT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(F)(F)F.NC1CCNC(=O)C1
Isomeric Smiles
C1CC(CC(=O)N1)N.O=C(C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
14.827441
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.514265
LogD (pH = 7.4)
-3.4468079
Log P
-1.5455275
Molar Refractivity
29.9883
Polarizability
11.95924
Polar Surface Area
55.12
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