Molecule

ID:55261

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClFN₂O
Molecular Mass
260.7355232
Exact Mass
260.10916911
Charge
0
InChI
InChI=1S/C12H17FN2O.ClH/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15;/h2-3,8-9H,4-7,14H2,1H3;1H
InChIKey
QTBNVSZEWBTFPT-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCOCC1)C(N)C.Cl
Isomeric Smiles
c1(N2CCOCC2)c(cc(cc1)C(N)C)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4549232
LogD (pH = 7.4)
-0.65782887
Log P
1.5478346
Molar Refractivity
62.6697
Polarizability
23.66408
Polar Surface Area
38.49
Rotatable Bonds
2
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