Molecule

ID:55219

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₂O₂
Molecular Mass
178.61674
Exact Mass
178.05090528
Charge
0
InChI
InChI=1S/C6H10N2O2.ClH/c7-3-4-8-5(9)1-2-6(8)10;/h1-4,7H2;1H
InChIKey
GFHCMTWJVSMLHI-UHFFFAOYSA-N
Canonic Smiles
NCCN1C(=O)CCC1=O.Cl
Isomeric Smiles
N1(C(=O)CCC1=O)CCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.5040345
LogD (pH = 7.4)
-3.2929854
Log P
-1.5667793
Molar Refractivity
35.1279
Polarizability
13.913425
Polar Surface Area
63.4
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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