Molecule

ID:114261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂
Molecular Mass
239.10062
Exact Mass
238.00645363
Charge
0
InChI
InChI=1S/C11H8Cl2N2/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)15-14-10/h2-6H,1H3
InChIKey
NQCSZGDCHRTMQO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccc(c(c1)C)Cl
Isomeric Smiles
n1nc(ccc1c1cc(c(cc1)Cl)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7505643
LogD (pH = 7.4)
3.750567
Log P
3.750567
Molar Refractivity
64.2407
Polarizability
25.063433
Polar Surface Area
25.78
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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