Molecule

ID:123057

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
InChIKey
AUOKCARPGGOSDI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)c2c(n1)c(Cl)ccc2
Isomeric Smiles
c12c(c(cc(n1)C)N)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49907145
LogD (pH = 7.4)
1.7616358
Log P
2.0373893
Molar Refractivity
54.076
Polarizability
21.734732
Polar Surface Area
38.91
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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