Molecule

ID:21154

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈FNO
Molecular Mass
223.2865232
Exact Mass
223.13724242
Charge
0
InChI
InChI=1S/C13H18FNO/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,15H,4-9H2
InChIKey
UKFPJBYUNYBLJE-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OCCC1CCNCC1
Isomeric Smiles
N1CCC(CCOc2cc(F)ccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8023354
LogD (pH = 7.4)
-0.34594542
Log P
2.4292505
Molar Refractivity
62.39
Polarizability
24.342884
Polar Surface Area
21.26
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