Molecule
ID:75264
General Information
Molecular Formula
C₈H₄Cl₂N₂
Molecular Mass
199.03676
Exact Mass
197.9751535
Charge
0
InChI
InChI=1S/C8H4Cl2N2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h1-4H
InChIKey
YAVWRUWYXLAQRT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nccnc2cc1Cl
Isomeric Smiles
n1ccnc2cc(c(cc12)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5071652
LogD (pH = 7.4)
2.5071676
Log P
2.5071678
Molar Refractivity
47.06
Polarizability
19.822538
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
No Data Available
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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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