Molecule

ID:62907

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄O
Molecular Mass
295.2087
Exact Mass
294.10141664
Charge
0
InChI
InChI=1S/C11H18N4O.2ClH/c1-9(16)14-11-6-13-15(8-11)7-10-2-4-12-5-3-10;;/h6,8,10,12H,2-5,7H2,1H3,(H,14,16);2*1H
InChIKey
IPIWSNYDPUYKRK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cnn(c1)CC1CCNCC1.Cl.Cl
Isomeric Smiles
n1(ncc(c1)NC(=O)C)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
11.946992
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4883072
LogD (pH = 7.4)
-3.0286078
Log P
-0.3894191
Molar Refractivity
74.7988
Polarizability
23.792429
Polar Surface Area
58.95
Rotatable Bonds
3
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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