Molecule

ID:58772

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂O₃
Molecular Mass
234.1832832
Exact Mass
234.04407031
Charge
0
InChI
InChI=1S/C11H7FN2O3/c12-7-2-1-3-8(6-7)17-10-9(11(15)16)13-4-5-14-10/h1-6H,(H,15,16)
InChIKey
XFTJASGXXRSKRG-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Oc1nccnc1C(=O)O
Isomeric Smiles
c1(c(Oc2cc(F)ccc2)nccn1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7717023
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.08792115
LogD (pH = 7.4)
-1.4569669
Log P
1.8187809
Molar Refractivity
55.3991
Polarizability
21.008467
Polar Surface Area
72.31
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