Molecule

ID:87238

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂N
Molecular Mass
214.09116
Exact Mass
213.01120465
Charge
0
InChI
InChI=1S/C10H8ClN.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h1-6H,7H2;1H
InChIKey
WDETYCRYUBGKCE-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc2c(n1)cccc2.Cl
Isomeric Smiles
n1c2c(ccc1CCl)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7950428
LogD (pH = 7.4)
2.7995565
Log P
2.7996144
Molar Refractivity
49.324
Polarizability
20.624895
Polar Surface Area
12.89
Rotatable Bonds
1
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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