Molecule

ID:64033

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c1-8(2)6(9)5-3-7-4-5;/h5,7H,3-4H2,1-2H3;1H
InChIKey
RVANNEBQEVYYQL-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1CNC1)C.Cl
Isomeric Smiles
Cl.CN(C)C(=O)C1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.211632
LogD (pH = 7.4)
-3.0324767
Log P
-1.0566807
Molar Refractivity
35.1809
Polarizability
13.794192
Polar Surface Area
32.34
Rotatable Bonds
1
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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