Molecule
ID:38015
General Information
Molecular Formula
C₁₇H₁₅F₂N₃O₂
Molecular Mass
331.3167064
Exact Mass
331.11323318
Charge
0
InChI
InChI=1S/C17H15F2N3O2/c1-3-24-17(23)12-9-20-22-14(15(18)19)8-13(21-16(12)22)11-6-4-10(2)5-7-11/h4-9,15H,3H2,1-2H3
InChIKey
IIGATCWUWDOLLU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)F)c1ccc(cc1)C
Isomeric Smiles
c12n(c(cc(n2)c2ccc(cc2)C)C(F)F)ncc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.868842
LogD (pH = 7.4)
3.8688438
Log P
3.8688438
Molar Refractivity
95.3144
Polarizability
32.635574
Polar Surface Area
56.49
Rotatable Bonds
5
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...