Molecule

ID:89570

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂
Molecular Mass
171.02336
Exact Mass
169.96900549
Charge
0
InChI
InChI=1S/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
InChIKey
MJHFEHXRVNTQIL-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)C#C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3321705
LogD (pH = 7.4)
3.3321705
Log P
3.3321705
Molar Refractivity
40.8399
Polarizability
16.673931
Polar Surface Area
0.0
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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