Molecule

ID:28859

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FNO
Molecular Mass
245.2920432
Exact Mass
245.12159236
Charge
0
InChI
InChI=1S/C15H16FNO/c1-2-18-15-5-3-4-12(10-15)11-17-14-8-6-13(16)7-9-14/h3-10,17H,2,11H2,1H3
InChIKey
BPBXCEYJMSJNLL-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)CNc1ccc(cc1)F
Isomeric Smiles
N(c1ccc(F)cc1)Cc1cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4989066
LogD (pH = 7.4)
3.512164
Log P
3.5123358
Molar Refractivity
72.2926
Polarizability
26.907629
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