Molecule
ID:74393
General Information
Molecular Formula
C₇H₁₇Cl₂N
Molecular Mass
186.12258
Exact Mass
185.07380491
Charge
0
InChI
InChI=1S/C7H16ClN.ClH/c1-4-9(5-2)6-7(3)8;/h7H,4-6H2,1-3H3;1H
InChIKey
WNKXRJOYUCAQLE-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(Cl)C)CC.Cl
Isomeric Smiles
N(CC)(CC)CC(Cl)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0564024
LogD (pH = 7.4)
0.6419978
Log P
1.9848503
Molar Refractivity
43.2474
Polarizability
16.963919
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
No Data Available
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Related Proteins
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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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