Molecule

ID:55381

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H10N2.ClH/c11-12-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7,12H,11H2;1H
InChIKey
OXOQKRNEPBHINU-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)cc(cc2)NN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1499507
LogD (pH = 7.4)
2.3510897
Log P
2.354365
Molar Refractivity
52.2149
Polarizability
20.515623
Polar Surface Area
38.05
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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