Molecule

ID:115318

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉FN₂O₃
Molecular Mass
272.2312632
Exact Mass
272.05972038
Charge
0
InChI
InChI=1S/C14H9FN2O3/c1-7-6-10(14(18)19)16-13-11(7)12(17-20-13)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,18,19)
InChIKey
QBMACEIMXCIKDY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1noc2c1c(C)cc(n2)C(=O)O
Isomeric Smiles
c12c(nc(C(=O)O)cc2C)onc1c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.4853046
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2332704
LogD (pH = 7.4)
-0.14063796
Log P
3.239091
Molar Refractivity
68.5294
Polarizability
27.005325
Polar Surface Area
76.22
Rotatable Bonds
2
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