Molecule

ID:9385

General Information
Structure
MolImage
Molecular Formula
C₄H₂Cl₂N₂
Molecular Mass
148.97808
Exact Mass
147.95950343
Charge
0
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey
BTTNYQZNBZNDOR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(n1)Cl
Isomeric Smiles
n1c(nccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7825075
LogD (pH = 7.4)
1.7825077
Log P
1.7825077
Molar Refractivity
34.087
Polarizability
12.597687
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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