Molecule

ID:42145

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂NO
Molecular Mass
208.08504
Exact Mass
207.02176934
Charge
0
InChI
InChI=1S/C8H10ClNO.ClH/c1-11-8-3-2-6(5-10)4-7(8)9;/h2-4H,5,10H2,1H3;1H
InChIKey
IKWWOZCEHOYKAO-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1)Cl)OC.Cl
Isomeric Smiles
c1(c(ccc(c1)CN)OC)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4307075
LogD (pH = 7.4)
-0.40737617
Log P
1.5453876
Molar Refractivity
45.7994
Polarizability
18.093565
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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