Molecule

ID:9006

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey
DQXNTSXKIUZJJS-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)C
Isomeric Smiles
c1(ncc(c(n1)Cl)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.295929
LogD (pH = 7.4)
2.295929
Log P
2.295929
Molar Refractivity
39.1282
Polarizability
14.336943
Polar Surface Area
25.78
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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