Molecule

ID:62267

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₄O
Molecular Mass
293.19282
Exact Mass
292.08576658
Charge
0
InChI
InChI=1S/C11H16N4O.2ClH/c1-7-9(10(12)16)6-14-11(15-7)8-2-4-13-5-3-8;;/h6,8,13H,2-5H2,1H3,(H2,12,16);2*1H
InChIKey
NFLJIGPJXHGVLN-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cnc(nc1C)C1CCNCC1.Cl.Cl
Isomeric Smiles
c1(c(nc(nc1)C1CCNCC1)C)C(=O)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.08914
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.7779016
LogD (pH = 7.4)
-2.8651423
Log P
-0.4506472
Molar Refractivity
61.4482
Polarizability
23.083147
Polar Surface Area
80.9
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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