Molecule

ID:30754

General Information
Structure
Molecular Formula
C₁₁H₁₂Cl₂N₂
Molecular Mass
243.13238
Exact Mass
242.03775375
Charge
0
InChI
InChI=1S/C11H11ClN2.ClH/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;/h1-3,13-14H,4-6H2;1H
InChIKey
UFQZMXLDUKSIOB-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1[nH]c1c2CNCC1.Cl
Isomeric Smiles
[nH]1c2c(c3c1c(Cl)ccc3)CNCC2.Cl
Calculated Properties
JChem
Acid pKa
14.827228
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.1987288
LogD (pH = 7.4)
-0.060877692
Log P
1.9655895
Molar Refractivity
58.4948
Polarizability
23.666973
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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