Molecule

ID:74356

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃Cl₂N
Molecular Mass
158.06942
Exact Mass
157.04250478
Charge
0
InChI
InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKey
LJQNMDZRCXJETK-UHFFFAOYSA-N
Canonic Smiles
ClCCCN(C)C.Cl
Isomeric Smiles
N(CCCCl)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.0992334
LogD (pH = 7.4)
-0.38915446
Log P
0.914619
Molar Refractivity
34.1968
Polarizability
13.281594
Polar Surface Area
3.24
Rotatable Bonds
3
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
References
Bioactivity
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