Molecule

ID:18293

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8H,9,15H2
InChIKey
LMKDKHDGVBPEKI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCc1cccc(c1)F
Isomeric Smiles
O(c1ccc(N)cc1)Cc1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.774806
LogD (pH = 7.4)
2.8527327
Log P
2.8538237
Molar Refractivity
62.0506
Polarizability
23.223412
Polar Surface Area
35.25
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