Molecule

ID:77392

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉Cl₃N₂
Molecular Mass
249.60886
Exact Mass
248.06138166
Charge
0
InChI
InChI=1S/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
InChIKey
RRZYWKLLIIIINP-UHFFFAOYSA-N
Canonic Smiles
ClCCCN1CCN(CC1)C.Cl.Cl
Isomeric Smiles
N1(CCCCl)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.1103024
LogD (pH = 7.4)
-0.35727572
Log P
0.7617386
Molar Refractivity
50.2469
Polarizability
19.603407
Polar Surface Area
6.48
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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