Molecule

ID:71309

General Information
Structure
Molecular Formula
C₁₀H₆Cl₂N₂
Molecular Mass
225.07404
Exact Mass
223.99080356
Charge
0
InChI
InChI=1S/C10H6Cl2N2/c11-9-5-7(1-3-13-9)8-2-4-14-10(12)6-8/h1-6H
InChIKey
KSELKNWXBOXHEV-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)c1ccnc(c1)Cl
Isomeric Smiles
c1(c2cc(ncc2)Cl)cc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8335443
LogD (pH = 7.4)
2.8335698
Log P
2.83357
Molar Refractivity
58.6126
Polarizability
23.331661
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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