Molecule

ID:86230

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂
Molecular Mass
189.04194
Exact Mass
187.99080356
Charge
0
InChI
InChI=1S/C7H6Cl2N2/c8-6-2-1-3-7(9)5(6)4-11-10/h1-4H,10H2
InChIKey
BDYTWFKXYPSYJZ-UHFFFAOYSA-N
Canonic Smiles
N/N=C/c1c(Cl)cccc1Cl
Isomeric Smiles
N(=C\c1c(cccc1Cl)Cl)/N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6099114
LogD (pH = 7.4)
2.6100218
Log P
2.6100233
Molar Refractivity
48.7928
Polarizability
18.098577
Polar Surface Area
38.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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