Molecule

ID:62991

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-8-14-10(6-11(12-2)15-8)9-4-3-5-13-7-9;;/h6,9,13H,3-5,7H2,1-2H3,(H,12,14,15);2*1H
InChIKey
SIECJGFQFZEVBV-UHFFFAOYSA-N
Canonic Smiles
CNc1cc(nc(n1)C)C1CCCNC1.Cl.Cl
Isomeric Smiles
n1c(cc(nc1C)C1CNCCC1)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3730004
LogD (pH = 7.4)
-1.1711787
Log P
1.1006076
Molar Refractivity
62.7231
Polarizability
23.204739
Polar Surface Area
49.84
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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