Molecule

ID:13231

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FNO
Molecular Mass
245.2920432
Exact Mass
245.12159236
Charge
0
InChI
InChI=1S/C15H16FNO/c1-18-14-8-6-12(7-9-14)10-17-11-13-4-2-3-5-15(13)16/h2-9,17H,10-11H2,1H3
InChIKey
NQYDNUKRKWAKET-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccccc1F
Isomeric Smiles
c1c(ccc(c1)CNCc1c(cccc1)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.57384235
LogD (pH = 7.4)
2.2909079
Log P
3.2410984
Molar Refractivity
70.5982
Polarizability
27.29194
Polar Surface Area
21.26
Rotatable Bonds
5
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