Molecule

ID:94116

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆FNO₂
Molecular Mass
189.2272432
Exact Mass
189.11650698
Charge
0
InChI
InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
SUECTKVSIDXQQE-SSDOTTSWSA-N
Canonic Smiles
F[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@@H](CC1)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2395062
LogD (pH = 7.4)
1.2395062
Log P
1.2395062
Molar Refractivity
46.8553
Polarizability
18.256605
Polar Surface Area
29.54
Rotatable Bonds
2
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