Molecule

ID:20028

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Cl₃N₂O
Molecular Mass
287.61378
Exact Mass
286.04064621
Charge
0
InChI
InChI=1S/C10H15ClN2O.2ClH/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11;;/h3-4,7H,5-6,12H2,1-2H3;2*1H
InChIKey
WBUGLNRPZISKFC-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(cc1Cl)N)C.Cl.Cl
Isomeric Smiles
c1cc(N)cc(c1OCCN(C)C)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4947516
LogD (pH = 7.4)
0.21101409
Log P
1.6093378
Molar Refractivity
60.0455
Polarizability
22.922825
Polar Surface Area
38.49
Rotatable Bonds
4
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