Molecule

ID:51578

General Information
Structure
MolImage
Molecular Formula
C₉H₉FN₂O₂
Molecular Mass
196.1783632
Exact Mass
196.06480576
Charge
0
InChI
InChI=1S/C9H9FN2O2/c1-14-8(13)3-2-6-4-7(10)5-12-9(6)11/h2-5H,1H3,(H2,11,12)/b3-2+
InChIKey
SJUASNHFMOMHPW-NSCUHMNNSA-N
Canonic Smiles
COC(=O)/C=C/c1cc(F)cnc1N
Isomeric Smiles
c1(cnc(c(c1)/C=C/C(=O)OC)N)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.197797
LogD (pH = 7.4)
1.205772
Log P
1.2058747
Molar Refractivity
50.9024
Polarizability
18.28045
Polar Surface Area
65.21
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
References
Bioactivity
Navigation