Molecule

ID:63258

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c1-8-3-2-5(7)4-6(8)9;/h5H,2-4,7H2,1H3;1H
InChIKey
YWKDSIRYNGGSHR-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(C(=O)C1)C.Cl
Isomeric Smiles
CN1C(=O)CC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.290516
LogD (pH = 7.4)
-3.2226474
Log P
-1.3218515
Molar Refractivity
34.885
Polarizability
13.794192
Polar Surface Area
46.33
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
No Data Available
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Molecule Details
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References
Bioactivity
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