Molecule

ID:65381

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO
Molecular Mass
149.61858
Exact Mass
149.06074169
Charge
0
InChI
InChI=1S/C6H11NO.ClH/c1-2-6-4-7-3-5(1)8-6;/h5-7H,1-4H2;1H
InChIKey
XADOTNAXKKFKDY-UHFFFAOYSA-N
Canonic Smiles
N1CC2CCC(C1)O2.Cl
Isomeric Smiles
C12CNCC(CC1)O2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7778578
LogD (pH = 7.4)
-1.1536355
Log P
0.11395268
Molar Refractivity
30.6493
Polarizability
12.542403
Polar Surface Area
21.26
Rotatable Bonds
0
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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