Molecule

ID:19749

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO
Molecular Mass
281.2729696
Exact Mass
281.10274873
Charge
0
InChI
InChI=1S/C15H14F3NO/c1-2-10-5-3-4-6-13(10)20-14-8-7-11(9-12(14)19)15(16,17)18/h3-9H,2,19H2,1H3
InChIKey
WARPQONXQJYCMF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1Oc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2c(CC)cccc2)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.852076
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.48024
LogD (pH = 7.4)
4.480443
Log P
4.4804454
Molar Refractivity
72.6151
Polarizability
26.408318
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation