Molecule

ID:62831

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-15(2)11-8-13-7-10(14-11)9-3-5-12-6-4-9;;/h7-9,12H,3-6H2,1-2H3;2*1H
InChIKey
RWSQYHCIFRUCJZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1cncc(n1)C1CCNCC1)C.Cl.Cl
Isomeric Smiles
n1c(N(C)C)cncc1C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.739314
LogD (pH = 7.4)
-1.9775997
Log P
0.4753504
Molar Refractivity
61.5094
Polarizability
23.284178
Polar Surface Area
41.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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