Molecule

ID:48788

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-8(4-5-9)6(10)2-3-7;/h9H,2-5,7H2,1H3;1H
InChIKey
UOKHKGOOEXPWDD-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N(CCO)C.Cl
Isomeric Smiles
C(=O)(N(CCO)C)CCN.Cl
Calculated Properties
JChem
Acid pKa
15.57485
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.894208
LogD (pH = 7.4)
-3.6714742
Log P
-1.9601554
Molar Refractivity
38.6107
Polarizability
15.164111
Polar Surface Area
66.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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