Molecule

ID:21170

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO
Molecular Mass
195.2333632
Exact Mass
195.10594229
Charge
0
InChI
InChI=1S/C11H14FNO/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-3,6,9,13H,4-5,7-8H2
InChIKey
YPNDXAXFHBOAQA-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OCC1CNCC1
Isomeric Smiles
N1CC(COc2cc(F)ccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5799496
LogD (pH = 7.4)
-1.4213398
Log P
1.6596235
Molar Refractivity
53.0122
Polarizability
20.665516
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