Molecule

ID:18549

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂Cl₂N₄
Molecular Mass
281.22518
Exact Mass
280.12215208
Charge
0
InChI
InChI=1S/C11H20N4.2ClH/c1-9-11(10(2)14(3)13-9)8-15-6-4-12-5-7-15;;/h12H,4-8H2,1-3H3;2*1H
InChIKey
GEMQDDCQNZJFCT-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1CN1CCNCC1)C)C.Cl.Cl
Isomeric Smiles
c1(c(n(nc1C)C)C)CN1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0358586
LogD (pH = 7.4)
-1.7030647
Log P
0.13750577
Molar Refractivity
74.0007
Polarizability
23.949251
Polar Surface Area
33.09
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
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Molecule Details
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References
Bioactivity
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