Molecule

ID:61609

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl
Molecular Mass
136.5783
Exact Mass
136.00797784
Charge
0
InChI
InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey
LFZJRTMTKGYJRS-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)Cl)C#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7281258
LogD (pH = 7.4)
2.7281258
Log P
2.7281258
Molar Refractivity
36.0351
Polarizability
14.76037
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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