Molecule

ID:48831

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅ClN₂O
Molecular Mass
236.782
Exact Mass
236.16554111
Charge
0
InChI
InChI=1S/C11H24N2O.ClH/c1-5-7-13(8-6-2)11(14)10(12)9(3)4;/h9-10H,5-8,12H2,1-4H3;1H
InChIKey
POIIROKGFICOPG-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)C(C(C)C)N)CCC.Cl
Isomeric Smiles
C(=O)(C(N)C(C)C)N(CCC)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0114686
LogD (pH = 7.4)
0.5731749
Log P
1.7078542
Molar Refractivity
59.6537
Polarizability
23.726809
Polar Surface Area
46.33
Rotatable Bonds
6
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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