Molecule

ID:19985

General Information
Structure
Molecular Formula
C₁₉H₁₆FNO
Molecular Mass
293.3348432
Exact Mass
293.12159236
Charge
0
InChI
InChI=1S/C19H16FNO/c20-16-10-11-19(17(21)13-16)22-18-9-5-4-8-15(18)12-14-6-2-1-3-7-14/h1-11,13H,12,21H2
InChIKey
OMLBBKKITBHNSD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccccc1Cc1ccccc1
Isomeric Smiles
O(c1c(cc(cc1)F)N)c1c(Cc2ccccc2)cccc1
Calculated Properties
JChem
Acid pKa
19.128763
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.878932
LogD (pH = 7.4)
4.879101
Log P
4.879103
Molar Refractivity
86.9528
Polarizability
32.81011
Polar Surface Area
35.25
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