Molecule
ID:123893
General Information
Molecular Formula
C₁₆H₁₃F₃N₂O₂
Molecular Mass
322.2818296
Exact Mass
322.09291233
Charge
0
InChI
InChI=1S/C16H13F3N2O2/c17-16(18,19)23-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(20)15(21)22/h1-8,14H,9,20H2
InChIKey
SSPLHBMUYGJYBI-UHFFFAOYSA-N
Canonic Smiles
O=C1C(N)c2c(N1Cc1ccc(cc1)OC(F)(F)F)cccc2
Isomeric Smiles
N1(C(=O)C(c2c1cccc2)N)Cc1ccc(OC(F)(F)F)cc1
Calculated Properties
JChem
Acid pKa
14.398181
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3081775
LogD (pH = 7.4)
2.9189303
Log P
3.2696607
Molar Refractivity
73.3794
Polarizability
29.21138
Polar Surface Area
55.56
Rotatable Bonds
4
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...