Molecule

ID:20231

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀F₃NO
Molecular Mass
323.3527096
Exact Mass
323.14969893
Charge
0
InChI
InChI=1S/C18H20F3NO/c1-4-17(2,3)12-5-8-14(9-6-12)23-16-10-7-13(22)11-15(16)18(19,20)21/h5-11H,4,22H2,1-3H3
InChIKey
XWXLEMGHEGOPQU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1C(F)(F)F)N)(C)C
Isomeric Smiles
c1(C(F)(F)F)c(Oc2ccc(C(CC)(C)C)cc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.508424
LogD (pH = 7.4)
5.5120344
Log P
5.5120807
Molar Refractivity
86.2398
Polarizability
31.882175
Polar Surface Area
35.25
Rotatable Bonds
5
Lipinski's Rule of Five
false
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