Molecule
ID:124459
General Information
Molecular Formula
C₁₁H₁₀FN₃O₂
Molecular Mass
235.2144032
Exact Mass
235.0757048
Charge
0
InChI
InChI=1S/C11H10FN3O2/c1-17-11(16)9-6-14-15(10(9)13)8-4-2-3-7(12)5-8/h2-6H,13H2,1H3
InChIKey
QBBRSYOFRZQTBG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnn(c1N)c1cccc(c1)F
Isomeric Smiles
c1(c(cnn1c1cc(F)ccc1)C(=O)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.115502
LogD (pH = 7.4)
2.115607
Log P
2.1156082
Molar Refractivity
60.6151
Polarizability
22.683353
Polar Surface Area
70.14
Rotatable Bonds
3
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...