Molecule

ID:20299

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO
Molecular Mass
281.2729696
Exact Mass
281.10274873
Charge
0
InChI
InChI=1S/C15H14F3NO/c1-9-5-10(2)7-12(6-9)20-11-3-4-14(19)13(8-11)15(16,17)18/h3-8H,19H2,1-2H3
InChIKey
KFOFZBUHKRJHLD-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Oc2ccc(c(c2)C(F)(F)F)N)cc(c1)C
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(cc(c1)C)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5488977
LogD (pH = 7.4)
4.549293
Log P
4.5492983
Molar Refractivity
73.0553
Polarizability
26.33505
Polar Surface Area
35.25
Rotatable Bonds
3
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