Molecule

ID:46646

General Information
Structure
Molecular Formula
C₁₄H₁₉ClF₃NO
Molecular Mass
309.7549696
Exact Mass
309.11072657
Charge
0
InChI
InChI=1S/C14H18F3NO.ClH/c15-14(16,17)12-1-3-13(4-2-12)19-10-7-11-5-8-18-9-6-11;/h1-4,11,18H,5-10H2;1H
InChIKey
RRLMZAMZYZKKPT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)OCCC1CCNCC1)(F)F.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCC1CCNCC1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.06718884
LogD (pH = 7.4)
0.38920113
Log P
3.164397
Molar Refractivity
68.1473
Polarizability
25.720432
Polar Surface Area
21.26
Rotatable Bonds
5
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