Molecule
ID:121164
General Information
Molecular Formula
C₁₁H₁₃FN₂O
Molecular Mass
208.2321232
Exact Mass
208.10119127
Charge
0
InChI
InChI=1S/C11H13FN2O/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2
InChIKey
NONOETQILPRNBN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)N)F)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1cc(c(cc1)F)N
Calculated Properties
JChem
Acid pKa
17.968704
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9907745
LogD (pH = 7.4)
0.9908112
Log P
0.9908117
Molar Refractivity
57.3876
Polarizability
20.635866
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...