Molecule

ID:44940

General Information
Structure
Molecular Formula
C₇H₄Cl₂N₂
Molecular Mass
187.02606
Exact Mass
185.9751535
Charge
0
InChI
InChI=1S/C7H4Cl2N2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
InChIKey
JCLZDOZRYOFSNV-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1Cl)cc[nH]2
Isomeric Smiles
c1(cnc2c(c1Cl)cc[nH]2)Cl
Calculated Properties
JChem
Acid pKa
14.2856455
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4298472
LogD (pH = 7.4)
2.4298863
Log P
2.4298868
Molar Refractivity
44.5498
Polarizability
17.787722
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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