Molecule

ID:33195

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-12-7-8(11)10-5-2-3-9-4-6-10;/h9H,2-7H2,1H3;1H
InChIKey
WSRBAYUAHOYTQK-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)N1CCNCCC1.Cl
Isomeric Smiles
N1(C(=O)COC)CCCNCC1.Cl
Calculated Properties
JChem
Acid pKa
19.824928
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.112184
LogD (pH = 7.4)
-2.4794621
Log P
-1.2330264
Molar Refractivity
46.3335
Polarizability
18.182564
Polar Surface Area
41.57
Rotatable Bonds
2
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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