Molecule

ID:62909

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-8-13-10(9-4-5-12-7-9)6-11(14-8)15(2)3;;/h6,9,12H,4-5,7H2,1-3H3;2*1H
InChIKey
XCAVIWAZPJEZBI-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)N(C)C)C1CNCC1.Cl.Cl
Isomeric Smiles
c1(nc(nc(c1)C1CNCC1)C)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1632795
LogD (pH = 7.4)
-1.6534735
Log P
1.3261598
Molar Refractivity
62.3569
Polarizability
23.20426
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
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Molecule Details
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References
Bioactivity
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