Molecule

ID:127188

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂N
Molecular Mass
228.11774
Exact Mass
227.02685472
Charge
0
InChI
InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
InChIKey
BSMNRYCSBFHEMQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)C12CNCC2C1
Isomeric Smiles
C1C2CNCC12c1cc(Cl)c(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4797196
LogD (pH = 7.4)
-0.099218056
Log P
2.7544641
Molar Refractivity
58.8771
Polarizability
23.29006
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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