Molecule

ID:62228

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₄O
Molecular Mass
293.19282
Exact Mass
292.08576658
Charge
0
InChI
InChI=1S/C11H16N4O.2ClH/c16-11(10-8-13-6-7-14-10)15-9-2-1-4-12-5-3-9;;/h6-9,12H,1-5H2,(H,15,16);2*1H
InChIKey
DWAFPBJVWOWIKF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nccnc1)NC1CCNCCC1.Cl.Cl
Isomeric Smiles
C(=O)(c1nccnc1)NC1CCNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.634955
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.0727296
LogD (pH = 7.4)
-3.6253102
Log P
-0.8408115
Molar Refractivity
60.1483
Polarizability
23.235197
Polar Surface Area
66.91
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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