Molecule

ID:75393

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂N
Molecular Mass
238.11256
Exact Mass
237.01120465
Charge
0
InChI
InChI=1S/C12H9Cl2N/c13-10-5-9(6-11(14)7-10)8-1-3-12(15)4-2-8/h1-7H,15H2
InChIKey
IELLSGLWKOTCFM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
Nc1ccc(cc1)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.993675
LogD (pH = 7.4)
3.999559
Log P
3.9996345
Molar Refractivity
65.5042
Polarizability
26.142973
Polar Surface Area
26.02
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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