Molecule

ID:44497

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄F₃NO₂
Molecular Mass
225.2081696
Exact Mass
225.09766335
Charge
0
InChI
InChI=1S/C9H14F3NO2/c1-15-8(14)6-13-4-2-7(3-5-13)9(10,11)12/h7H,2-6H2,1H3
InChIKey
LYTGRAPHPAHXSU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCC(CC1)C(F)(F)F
Isomeric Smiles
C1CN(CCC1C(F)(F)F)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.59097415
LogD (pH = 7.4)
1.2108066
Log P
1.2287264
Molar Refractivity
48.3903
Polarizability
18.352747
Polar Surface Area
29.54
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