Molecule

ID:20312

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈F₃NO
Molecular Mass
309.3261296
Exact Mass
309.13404886
Charge
0
InChI
InChI=1S/C17H18F3NO/c1-3-11(2)12-4-6-13(7-5-12)22-14-8-9-16(21)15(10-14)17(18,19)20/h4-11H,3,21H2,1-2H3
InChIKey
ZIQJOTKYPHGXJF-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(c(c1)C(F)(F)F)N)C
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1ccc(cc1)C(CC)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.2117114
LogD (pH = 7.4)
5.2120295
Log P
5.2120333
Molar Refractivity
81.7647
Polarizability
30.055042
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