Molecule

ID:70196

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN
Molecular Mass
133.61918
Exact Mass
133.06582707
Charge
0
InChI
InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKey
MYGXGCCFTPKWIH-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)Cl
Isomeric Smiles
N1(CCC(CC1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.0713289
LogD (pH = 7.4)
-0.33435145
Log P
0.8628209
Molar Refractivity
36.7634
Polarizability
14.397297
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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