Molecule

ID:55253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅Cl₂N₃O
Molecular Mass
286.2417
Exact Mass
285.1374678
Charge
0
InChI
InChI=1S/C11H23N3O.2ClH/c1-11(2,3)13-10(15)8-14-6-4-9(12)5-7-14;;/h9H,4-8,12H2,1-3H3,(H,13,15);2*1H
InChIKey
NHWTWBQPQOEBPP-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CC(=O)NC(C)(C)C.Cl.Cl
Isomeric Smiles
C(=O)(NC(C)(C)C)CN1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.909739
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.8015127
LogD (pH = 7.4)
-3.4186535
Log P
-0.6499763
Molar Refractivity
61.979
Polarizability
24.521858
Polar Surface Area
58.36
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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