Molecule

ID:70559

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂O
Molecular Mass
175.01206
Exact Mass
173.96392011
Charge
0
InChI
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey
LLMLNAVBOAMOEE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1Cl)Cl
Isomeric Smiles
C(=O)c1c(c(ccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8938375
LogD (pH = 7.4)
2.8938375
Log P
2.8938375
Molar Refractivity
42.2516
Polarizability
16.058407
Polar Surface Area
17.07
Rotatable Bonds
1
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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