Molecule

ID:16126

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃
Molecular Mass
248.1522
Exact Mass
247.06430286
Charge
0
InChI
InChI=1S/C10H13N3.2ClH/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11;;/h2-5H,6-7,11H2,1H3;2*1H
InChIKey
PZRXJCCZWOQMOU-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(n1C)cccc2.Cl.Cl
Isomeric Smiles
c1(nc2c(n1C)cccc2)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.335739
LogD (pH = 7.4)
-1.27689
Log P
0.9191277
Molar Refractivity
52.365
Polarizability
21.587425
Polar Surface Area
43.84
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
References
Bioactivity
Navigation