Molecule

ID:20039

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂NO
Molecular Mass
208.08504
Exact Mass
207.02176934
Charge
0
InChI
InChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-6(10)5-7(8)9;/h3-5H,2,10H2,1H3;1H
InChIKey
QRNYSKLCAJBIRB-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1Cl)N.Cl
Isomeric Smiles
c1(cc(N)ccc1OCC)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9210916
LogD (pH = 7.4)
1.9471585
Log P
1.9475012
Molar Refractivity
46.775
Polarizability
17.718733
Polar Surface Area
35.25
Rotatable Bonds
2
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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