Molecule

ID:19445

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN
Molecular Mass
215.6949032
Exact Mass
215.08770539
Charge
0
InChI
InChI=1S/C11H14FN.ClH/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKey
RNFNKGDUMUFRIN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C1CCNCC1.Cl
Isomeric Smiles
c1(c(F)cccc1)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9969997
LogD (pH = 7.4)
-0.2803747
Log P
2.2210126
Molar Refractivity
51.6954
Polarizability
19.904125
Polar Surface Area
12.03
Rotatable Bonds
1
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