Molecule

ID:82726

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₂
Molecular Mass
227.08992
Exact Mass
226.00645363
Charge
0
InChI
InChI=1S/C10H8Cl2N2/c11-9-10(12)14(7-13-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
JSBXMVHZAMSFPF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c1Cl)Cc1ccccc1
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.944697
LogD (pH = 7.4)
2.9461832
Log P
2.9462023
Molar Refractivity
59.1941
Polarizability
22.391348
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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