Molecule

ID:46787

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClF₂NO
Molecular Mass
291.7645064
Exact Mass
291.12014839
Charge
0
InChI
InChI=1S/C14H19F2NO.ClH/c15-13-2-1-12(14(16)9-13)10-18-8-5-11-3-6-17-7-4-11;/h1-2,9,11,17H,3-8,10H2;1H
InChIKey
IVJNYXGCWDFVPA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)COCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)F)COCCC1CCNCC1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6261855
LogD (pH = 7.4)
-0.1697956
Log P
2.6054003
Molar Refractivity
67.7103
Polarizability
25.886923
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