Molecule

ID:122617

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClFN₂
Molecular Mass
242.7202432
Exact Mass
242.09860442
Charge
0
InChI
InChI=1S/C12H16ClFN2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2
InChIKey
ZWIIAFWOVYXJTG-UHFFFAOYSA-N
Canonic Smiles
NCC(c1c(F)cccc1Cl)N1CCCC1
Isomeric Smiles
c1(C(N2CCCC2)CN)c(Cl)cccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.71882474
LogD (pH = 7.4)
0.9550968
Log P
2.32997
Molar Refractivity
64.7829
Polarizability
25.230516
Polar Surface Area
29.26
Rotatable Bonds
3
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