Molecule

ID:17231

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂
Molecular Mass
243.13238
Exact Mass
242.03775375
Charge
0
InChI
InChI=1S/C11H11ClN2.ClH/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10;/h1-2,5,13-14H,3-4,6H2;1H
InChIKey
BZINTWDYEPHEOE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c1CCNCc1[nH]2.Cl
Isomeric Smiles
c12c3c([nH]c1CNCC2)ccc(c3)Cl.Cl
Calculated Properties
JChem
Acid pKa
16.341587
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.8595727
LogD (pH = 7.4)
0.5862266
Log P
2.1942909
Molar Refractivity
58.3844
Polarizability
23.649397
Polar Surface Area
27.82
Rotatable Bonds
0
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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