Molecule

ID:118354

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3
InChIKey
DAOSLFYYPSHQRU-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccccc1Cl)N(C)C
Isomeric Smiles
c1(C(C#N)N(C)C)c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
13.815393
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2549267
LogD (pH = 7.4)
2.266427
Log P
2.2665758
Molar Refractivity
54.2147
Polarizability
20.922499
Polar Surface Area
27.03
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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