Molecule

ID:30609

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₂O
Molecular Mass
162.61734
Exact Mass
162.05599066
Charge
0
InChI
InChI=1S/C6H10N2O.ClH/c1-2-5-3-6(4-7)9-8-5;/h3H,2,4,7H2,1H3;1H
InChIKey
LJNOFDXDKWGSTD-UHFFFAOYSA-N
Canonic Smiles
CCc1noc(c1)CN.Cl
Isomeric Smiles
n1oc(cc1CC)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9729928
LogD (pH = 7.4)
-0.2958382
Log P
0.2154668
Molar Refractivity
35.0693
Polarizability
13.285594
Polar Surface Area
52.05
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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