Molecule

ID:133604

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClNO₂
Molecular Mass
163.6021
Exact Mass
163.04000625
Charge
0
InChI
InChI=1S/C6H9NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h2-3,5,7H,4H2,1H3;1H
InChIKey
LDWTUXKKNIHFQG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1NCC=C1.Cl
Isomeric Smiles
COC(=O)C1C=CCN1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2861843
LogD (pH = 7.4)
-0.09209842
Log P
-0.0013540897
Molar Refractivity
33.642
Polarizability
13.117323
Polar Surface Area
38.33
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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