Molecule

ID:117848

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂N₂
Molecular Mass
191.05782
Exact Mass
190.00645363
Charge
0
InChI
InChI=1S/C7H8Cl2N2/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,11H,4,10H2
InChIKey
OMBMILBFFMGAJD-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(c(ccc(c1)CNN)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9423195
LogD (pH = 7.4)
2.1196458
Log P
2.1224482
Molar Refractivity
59.1179
Polarizability
18.800373
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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