Molecule

ID:90136

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂N
Molecular Mass
192.08564
Exact Mass
191.02685472
Charge
0
InChI
InChI=1S/C8H10ClN.ClH/c1-6-7(9)4-3-5-8(6)10-2;/h3-5,10H,1-2H3;1H
InChIKey
HBPRPSKNUFNRKO-UHFFFAOYSA-N
Canonic Smiles
CNc1cccc(c1C)Cl.Cl
Isomeric Smiles
Clc1cccc(c1C)NC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.542425
LogD (pH = 7.4)
2.5632184
Log P
2.56349
Molar Refractivity
46.0978
Polarizability
16.93322
Polar Surface Area
12.03
Rotatable Bonds
1
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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