Molecule

ID:62818

General Information
Structure
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c1-11-10-7-13-6-9(14-10)8-3-2-4-12-5-8;;/h6-8,12H,2-5H2,1H3,(H,11,14);2*1H
InChIKey
ZMIAARWMGJGYPW-UHFFFAOYSA-N
Canonic Smiles
CNc1cncc(n1)C1CCCNC1.Cl.Cl
Isomeric Smiles
n1c(C2CNCCC2)cncc1NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1956217
LogD (pH = 7.4)
-2.2156732
Log P
-0.004007864
Molar Refractivity
57.1206
Polarizability
21.442362
Polar Surface Area
49.84
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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