Molecule

ID:71746

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c11-14-7-5-13(6-8-14)9-10-3-1-2-4-12-10;;/h1-4H,5-9,11H2;2*1H
InChIKey
JYHYPNKOTUFZHU-UHFFFAOYSA-N
Canonic Smiles
NN1CCN(CC1)Cc1ccccn1.Cl.Cl
Isomeric Smiles
c1cnc(cc1)CN1CCN(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4743121
LogD (pH = 7.4)
-0.48363587
Log P
-0.43262804
Molar Refractivity
57.1611
Polarizability
22.290865
Polar Surface Area
45.39
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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