Molecule

ID:45644

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-12-6-8(11)10-7-2-4-9-5-3-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
InChIKey
NPULSNCRFDTYSU-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)COC.Cl
Calculated Properties
JChem
Acid pKa
15.421524
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.557179
LogD (pH = 7.4)
-3.8728724
Log P
-1.3369756
Molar Refractivity
45.9724
Polarizability
18.182564
Polar Surface Area
50.36
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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