Molecule

ID:55477

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂
Molecular Mass
245.14826
Exact Mass
244.05340382
Charge
0
InChI
InChI=1S/C11H13ClN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H
InChIKey
ZPKPOALZYQCCES-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1c[nH]c2c1cc(Cl)cc2)N.Cl
Isomeric Smiles
c1(ccc2[nH]cc(c2c1)CC(N)C)Cl.Cl
Calculated Properties
JChem
Acid pKa
17.023348
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.5099127
LogD (pH = 7.4)
0.07607304
Log P
2.5070572
Molar Refractivity
59.5965
Polarizability
24.390884
Polar Surface Area
41.81
Rotatable Bonds
2
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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