Molecule

ID:112866

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃Cl₂N
Molecular Mass
158.06942
Exact Mass
157.04250478
Charge
0
InChI
InChI=1S/C5H12ClN.ClH/c1-3-7(2)5-4-6;/h3-5H2,1-2H3;1H
InChIKey
JNZADWSFSFZFLJ-UHFFFAOYSA-N
Canonic Smiles
ClCCN(CC)C.Cl
Isomeric Smiles
Cl.CCN(C)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.407117
LogD (pH = 7.4)
0.36688653
Log P
1.2114673
Molar Refractivity
34.08
Polarizability
13.28197
Polar Surface Area
3.24
Rotatable Bonds
3
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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