Molecule

ID:46097

General Information
Structure
Molecular Formula
C₁₀H₁₁F₂NO
Molecular Mass
199.1972464
Exact Mass
199.08087042
Charge
0
InChI
InChI=1S/C10H11F2NO/c11-9-2-1-3-10(12)8(9)6-14-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKey
LEWSEAMTYWDDBU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1COC1CNC1)F
Isomeric Smiles
c1(COC2CNC2)c(F)cccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2963711
LogD (pH = 7.4)
0.276605
Log P
1.6582651
Molar Refractivity
48.4835
Polarizability
18.580378
Polar Surface Area
21.26
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