Molecule

ID:63044

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c1-11-10-5-9(13-7-14-10)4-8-2-3-12-6-8;;/h5,7-8,12H,2-4,6H2,1H3,(H,11,13,14);2*1H
InChIKey
JUMRUZLIVNIQHH-UHFFFAOYSA-N
Canonic Smiles
CNc1ncnc(c1)CC1CNCC1.Cl.Cl
Isomeric Smiles
n1c(cc(nc1)CC1CNCC1)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.08777
LogD (pH = 7.4)
-2.9232652
Log P
0.17390572
Molar Refractivity
58.1498
Polarizability
21.440617
Polar Surface Area
49.84
Rotatable Bonds
3
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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