Molecule

ID:67748

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂N₂
Molecular Mass
187.02606
Exact Mass
185.9751535
Charge
0
InChI
InChI=1S/C7H4Cl2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H
InChIKey
ZTBYPLYMOIIANS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(c1)[nH]cc2
Isomeric Smiles
c1(c2c(cc(n1)Cl)[nH]cc2)Cl
Calculated Properties
JChem
Acid pKa
13.240486
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5027735
LogD (pH = 7.4)
2.5027785
Log P
2.502779
Molar Refractivity
46.7198
Polarizability
18.51979
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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