Molecule

ID:67675

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H2,8,9)
InChIKey
AGJMDETXSYICGZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(N)nc(c1)Cl
Isomeric Smiles
c1(cc(cc(n1)Cl)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9492764
LogD (pH = 7.4)
1.9493703
Log P
1.9493715
Molar Refractivity
39.5859
Polarizability
14.466464
Polar Surface Area
38.91
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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