Molecule

ID:42551

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClF₃N₃O₂
Molecular Mass
351.7518896
Exact Mass
351.09613914
Charge
0
InChI
InChI=1S/C14H17ClF3N3O2/c1-2-23-12(22)9-20-3-5-21(6-4-20)13-11(15)7-10(8-19-13)14(16,17)18/h7-8H,2-6,9H2,1H3
InChIKey
SEMIHKPHPHQBRG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(ncc(cc1Cl)C(F)(F)F)N1CCN(CC(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.726369
LogD (pH = 7.4)
2.767227
Log P
2.767773
Molar Refractivity
81.0741
Polarizability
30.05575
Polar Surface Area
45.67
Rotatable Bonds
6
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