Molecule

ID:45565

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-5(8)9-6-2-3-7-4-6;/h6-7H,2-4H2,1H3;1H
InChIKey
PFYOOYCOQZYSJW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7170744
LogD (pH = 7.4)
-3.0854557
Log P
-0.4936532
Molar Refractivity
32.7038
Polarizability
13.364334
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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