Molecule

ID:63006

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c1-14(2)10-12-6-4-9(13-10)8-3-5-11-7-8;;/h4,6,8,11H,3,5,7H2,1-2H3;2*1H
InChIKey
XKYNKWBBTNDHQN-UHFFFAOYSA-N
Canonic Smiles
CN(c1nccc(n1)C1CNCC1)C.Cl.Cl
Isomeric Smiles
c1(nc(C2CNCC2)ccn1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4578602
LogD (pH = 7.4)
-2.1472359
Log P
0.7828522
Molar Refractivity
57.365
Polarizability
21.443575
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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