Molecule
ID:97140
General Information
Molecular Formula
C₆H₁₂FNO₂
Molecular Mass
149.1633832
Exact Mass
149.08520685
Charge
0
InChI
InChI=1S/C6H12FNO2/c1-2-3-4(7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKey
HUPVCGRDUVJYEN-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(C(=O)O)N)F
Isomeric Smiles
OC(=O)C(N)C(CCC)F
Calculated Properties
JChem
Acid pKa
2.4973931
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6046131
LogD (pH = 7.4)
-1.6478274
Log P
-1.6049877
Molar Refractivity
33.8927
Polarizability
13.634782
Polar Surface Area
63.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...