Molecule

ID:93024

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
ZZOWFLAMMWOSCG-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)Cl)c1ccccc1
Isomeric Smiles
n1c(C)cc(n1c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5093358
LogD (pH = 7.4)
2.5094879
Log P
2.5094898
Molar Refractivity
53.8171
Polarizability
21.067966
Polar Surface Area
17.82
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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