Molecule

ID:55841

General Information
Structure
Molecular Formula
C₁₀H₂₀Cl₂N₄
Molecular Mass
267.1986
Exact Mass
266.10650202
Charge
0
InChI
InChI=1S/C10H18N4.2ClH/c1-2-7-14-8-12-13-10(14)9-3-5-11-6-4-9;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKey
ODNVVJGBHLMPMN-UHFFFAOYSA-N
Canonic Smiles
CCCn1cnnc1C1CCNCC1.Cl.Cl
Isomeric Smiles
C1NCCC(C1)c1n(cnn1)CCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9933672
LogD (pH = 7.4)
-2.2598941
Log P
0.22397317
Molar Refractivity
58.2706
Polarizability
21.632526
Polar Surface Area
42.74
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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