Molecule
ID:51746
General Information
Molecular Formula
C₈H₄Cl₂N₂
Molecular Mass
199.03676
Exact Mass
197.9751535
Charge
0
InChI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
InChIKey
TUQSVSYUEBNNKQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccccc2c(n1)Cl
Isomeric Smiles
n1c(c2c(nc1Cl)cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1578348
LogD (pH = 7.4)
3.1578348
Log P
3.1578348
Molar Refractivity
50.1652
Polarizability
19.989676
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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