Molecule

ID:55742

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₂O
Molecular Mass
162.61734
Exact Mass
162.05599066
Charge
0
InChI
InChI=1S/C6H10N2O.ClH/c9-5-3-7-4-6(8-5)1-2-6;/h7H,1-4H2,(H,8,9);1H
InChIKey
OKXSVKBORKOQFV-UHFFFAOYSA-N
Canonic Smiles
O=C1CNCC2(N1)CC2.Cl
Isomeric Smiles
C1C2(C1)CNCC(=O)N2.Cl
Calculated Properties
JChem
Acid pKa
13.160381
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8094923
LogD (pH = 7.4)
-1.3064141
Log P
-1.0803534
Molar Refractivity
32.6287
Polarizability
13.075193
Polar Surface Area
41.13
Rotatable Bonds
0
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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