Molecule

ID:63045

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Cl₂N₃
Molecular Mass
250.16808
Exact Mass
249.07995292
Charge
0
InChI
InChI=1S/C10H15N3.2ClH/c1-8-5-12-7-13-10(8)9-3-2-4-11-6-9;;/h5,7,9,11H,2-4,6H2,1H3;2*1H
InChIKey
GDKGIDFSDXXPEU-UHFFFAOYSA-N
Canonic Smiles
Cc1cncnc1C1CCCNC1.Cl.Cl
Isomeric Smiles
c1(ncncc1C)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2388115
LogD (pH = 7.4)
-1.2671828
Log P
0.95401233
Molar Refractivity
52.6326
Polarizability
20.22984
Polar Surface Area
37.81
Rotatable Bonds
1
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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