Molecule

ID:22810

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c1-19-13-7-6-11(16)8-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3,(H,17,18)
InChIKey
MVVGIFGVRJKQID-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1ccc(cc1)F)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.103832
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1849859
LogD (pH = 7.4)
2.2207503
Log P
2.2212353
Molar Refractivity
72.9715
Polarizability
26.271713
Polar Surface Area
64.35
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