Molecule

ID:23912

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃O
Molecular Mass
278.17818
Exact Mass
277.07486754
Charge
0
InChI
InChI=1S/C11H15N3O.2ClH/c12-9-3-4-11-10(7-9)13-8-14(11)5-1-2-6-15;;/h3-4,7-8,15H,1-2,5-6,12H2;2*1H
InChIKey
WYFLVYBJQFAFIH-UHFFFAOYSA-N
Canonic Smiles
OCCCCn1cnc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
c12c(cc(cc2)N)ncn1CCCCO.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.972023
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3319785
LogD (pH = 7.4)
0.38333195
Log P
0.5414745
Molar Refractivity
60.3679
Polarizability
23.687792
Polar Surface Area
64.07
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