Molecule

ID:55678

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂F₃N₂O
Molecular Mass
335.1932696
Exact Mass
334.08265326
Charge
0
InChI
InChI=1S/C12H17F3N2O.2ClH/c1-17(2)8-7-16-9-10-5-3-4-6-11(10)18-12(13,14)15;;/h3-6,16H,7-9H2,1-2H3;2*1H
InChIKey
HQLWBIFYHKEKLA-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccccc1OC(F)(F)F)C.Cl.Cl
Isomeric Smiles
C(Oc1c(CNCCN(C)C)cccc1)(F)(F)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21548136
LogD (pH = 7.4)
1.3881581
Log P
2.9813507
Molar Refractivity
60.3954
Polarizability
24.327496
Polar Surface Area
24.5
Rotatable Bonds
7
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