Molecule
ID:124609
General Information
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h1-7H,12H2
InChIKey
AGOZLKLLISCKPS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)n1cccc1
Isomeric Smiles
n1(c2c(cc(cc2)N)Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2142837
LogD (pH = 7.4)
2.2954605
Log P
2.2966
Molar Refractivity
65.3156
Polarizability
21.31975
Polar Surface Area
30.95
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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