Molecule

ID:55872

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O₂
Molecular Mass
220.69648
Exact Mass
220.09785547
Charge
0
InChI
InChI=1S/C9H16N2O2.ClH/c1-13-9(12)7-11-8-5-3-2-4-6-10-8;/h2-7H2,1H3,(H,10,11);1H
InChIKey
OPHJMVJDCRBXFL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC1=NCCCCC1.Cl
Isomeric Smiles
N1=C(NCC(=O)OC)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1237686
LogD (pH = 7.4)
-1.6584074
Log P
0.280843
Molar Refractivity
49.2674
Polarizability
19.229979
Polar Surface Area
50.69
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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