Molecule

ID:15568

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N₃
Molecular Mass
260.1629
Exact Mass
259.06430286
Charge
0
InChI
InChI=1S/C11H13N3.2ClH/c12-6-8-14-9-7-13-11(14)10-4-2-1-3-5-10;;/h1-5,7,9H,6,8,12H2;2*1H
InChIKey
SCSNUZUSLIIBFK-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccnc1c1ccccc1.Cl.Cl
Isomeric Smiles
c1nc(n(c1)CCN)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2879663
LogD (pH = 7.4)
-0.9301265
Log P
1.3062383
Molar Refractivity
66.9609
Polarizability
22.574602
Polar Surface Area
43.84
Rotatable Bonds
3
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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