Molecule

ID:50187

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClN
Molecular Mass
121.60848
Exact Mass
121.06582707
Charge
0
InChI
InChI=1S/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H
InChIKey
JDJFUMBJQINVKP-UHFFFAOYSA-N
Canonic Smiles
CC1CNCC1.Cl
Isomeric Smiles
N1CC(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.663311
LogD (pH = 7.4)
-2.6034849
Log P
0.5778918
Molar Refractivity
26.706
Polarizability
10.75224
Polar Surface Area
12.03
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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