Molecule
ID:67750
General Information
Molecular Formula
C₈H₄Cl₂N₂
Molecular Mass
199.03676
Exact Mass
197.9751535
Charge
0
InChI
InChI=1S/C8H4Cl2N2/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H
InChIKey
LGRUYTZVYJCUTH-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1cccc2Cl
Isomeric Smiles
n1cnc(c2cccc(c12)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8533287
LogD (pH = 7.4)
2.8533292
Log P
2.8533292
Molar Refractivity
49.4714
Polarizability
19.884823
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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