Molecule

ID:115021

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃FN₂O₃
Molecular Mass
264.2523232
Exact Mass
264.09102051
Charge
0
InChI
InChI=1S/C13H13FN2O3/c1-8-11(6-7-12(17)18)13(19)16(15-8)10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,17,18)
InChIKey
CTLSYMXLMGGLIB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1C(=NN(C1=O)c1ccc(cc1)F)C
Isomeric Smiles
N1(N=C(C(C1=O)CCC(=O)O)C)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.7873654
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.06688463
LogD (pH = 7.4)
-1.4868551
Log P
1.7812845
Molar Refractivity
65.1508
Polarizability
24.699814
Polar Surface Area
69.97
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