Molecule

ID:62959

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄Cl₂N₄
Molecular Mass
307.26246
Exact Mass
306.13780215
Charge
0
InChI
InChI=1S/C13H22N4.2ClH/c1-10-8-13(17(2)3)16-12(15-10)9-11-4-6-14-7-5-11;;/h8,11,14H,4-7,9H2,1-3H3;2*1H
InChIKey
DJNAAKKQXKWJNE-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(CC2CCNCC2)nc(c1)N(C)C.Cl.Cl
Isomeric Smiles
n1c(cc(nc1CC1CCNCC1)C)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.858592
LogD (pH = 7.4)
-1.1220772
Log P
1.7919679
Molar Refractivity
71.687
Polarizability
26.890472
Polar Surface Area
41.05
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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