Molecule

ID:74395

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅Cl₂N
Molecular Mass
172.096
Exact Mass
171.05815485
Charge
0
InChI
InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
InChIKey
RAGSWDIQBBZLLL-UHFFFAOYSA-N
Canonic Smiles
ClCCN(CC)CC.Cl
Isomeric Smiles
N(CC)(CCCl)CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.280223
LogD (pH = 7.4)
0.47621664
Log P
1.5682752
Molar Refractivity
38.8286
Polarizability
15.121751
Polar Surface Area
3.24
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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