Molecule

ID:48905

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O₂
Molecular Mass
220.69648
Exact Mass
220.09785547
Charge
0
InChI
InChI=1S/C9H16N2O2.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H
InChIKey
WHYDWZRQXLECCH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.8821952
LogD (pH = 7.4)
-3.033421
Log P
-0.67523235
Molar Refractivity
48.7544
Polarizability
19.298449
Polar Surface Area
41.57
Rotatable Bonds
1
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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