Molecule

ID:62856

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈Cl₂N₄O
Molecular Mass
269.17142
Exact Mass
268.08576658
Charge
0
InChI
InChI=1S/C9H16N4O.2ClH/c1-14-6-5-13-7-11-12-9(13)8-3-2-4-10-8;;/h7-8,10H,2-6H2,1H3;2*1H
InChIKey
XFNZVFDALXDCFJ-UHFFFAOYSA-N
Canonic Smiles
COCCn1cnnc1C1CCCN1.Cl.Cl
Isomeric Smiles
c1(n(cnn1)CCOC)C1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.560414
LogD (pH = 7.4)
-1.9286621
Log P
-0.6797063
Molar Refractivity
55.0305
Polarizability
20.579323
Polar Surface Area
51.97
Rotatable Bonds
4
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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