Molecule

ID:61499

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₄
Molecular Mass
291.22
Exact Mass
290.10650202
Charge
0
InChI
InChI=1S/C12H18N4.2ClH/c1-2-10-3-5-15-12(11(10)14-4-1)16-8-6-13-7-9-16;;/h3,5,13-14H,1-2,4,6-9H2;2*1H
InChIKey
WHYDDYPWWZXXSK-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nccc2c1NCCC2.Cl.Cl
Isomeric Smiles
c1cc2c(c(n1)N1CCNCC1)NCCC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.5035977
LogD (pH = 7.4)
-0.5538925
Log P
0.8793817
Molar Refractivity
67.503
Polarizability
24.588795
Polar Surface Area
40.19
Rotatable Bonds
1
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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