Molecule

ID:124659

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂N₃
Molecular Mass
290.23194
Exact Mass
289.11125305
Charge
0
InChI
InChI=1S/C13H19N3.2ClH/c1-16-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14;;/h4-5,7-8H,2-3,6,9-10,14H2,1H3;2*1H
InChIKey
FGIUCMYGSIDAPS-UHFFFAOYSA-N
Canonic Smiles
NCCCCCc1nc2c(n1C)cccc2.Cl.Cl
Isomeric Smiles
n1c(n(c2c1cccc2)C)CCCCCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5281929
LogD (pH = 7.4)
-0.5253565
Log P
2.0969262
Molar Refractivity
66.322
Polarizability
27.128702
Polar Surface Area
43.84
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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