Molecule

ID:55838

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7;;/h7-8,11H,1-6H2,(H,12,13,14);2*1H
InChIKey
HHOJPZROXSLQEO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)c1nnc([nH]1)C1CC1.Cl.Cl
Isomeric Smiles
C1CNCC(C1)c1[nH]c(nn1)C1CC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
11.004872
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.009681
LogD (pH = 7.4)
-2.0060885
Log P
-0.024580283
Molar Refractivity
55.7872
Polarizability
20.908941
Polar Surface Area
53.6
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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