Molecule

ID:48906

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O₂
Molecular Mass
220.69648
Exact Mass
220.09785547
Charge
0
InChI
InChI=1S/C9H16N2O2.ClH/c12-7-3-5-11(6-7)9(13)8-2-1-4-10-8;/h7-8,10,12H,1-6H2;1H
InChIKey
RFZCXKLPUWQOLN-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C(=O)C1CCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCC2)CC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.827435
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.405599
LogD (pH = 7.4)
-3.5568657
Log P
-1.198632
Molar Refractivity
48.5388
Polarizability
19.228226
Polar Surface Area
52.57
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
No Data Available
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Molecule Details
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References
Bioactivity
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