Molecule

ID:62841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c1-14(2)10-7-11-6-9(13-10)8-4-3-5-12-8;;/h6-8,12H,3-5H2,1-2H3;2*1H
InChIKey
LIUPQXHALZAKTQ-UHFFFAOYSA-N
Canonic Smiles
CN(c1cncc(n1)C1CCCN1)C.Cl.Cl
Isomeric Smiles
n1c(N(C)C)cncc1C1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5849006
LogD (pH = 7.4)
-1.1941743
Log P
0.49797684
Molar Refractivity
56.4984
Polarizability
21.516436
Polar Surface Area
41.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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