Molecule

ID:21500

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N
Molecular Mass
234.16538
Exact Mass
233.07380491
Charge
0
InChI
InChI=1S/C11H16ClN.ClH/c1-2-3-8-13-9-10-6-4-5-7-11(10)12;/h4-7,13H,2-3,8-9H2,1H3;1H
InChIKey
YDTNCZAIYPCAOK-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1ccccc1Cl.Cl
Isomeric Smiles
c1(c(Cl)cccc1)CNCCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3633044
LogD (pH = 7.4)
1.7243985
Log P
3.4595382
Molar Refractivity
57.9844
Polarizability
22.933558
Polar Surface Area
12.03
Rotatable Bonds
5
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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