Molecule

ID:77561

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂O
Molecular Mass
177.02794
Exact Mass
175.97957017
Charge
0
InChI
InChI=1S/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKey
QKMNFFSBZRGHDJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)ccc1Cl
Isomeric Smiles
O(c1c(ccc(c1)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.023664
LogD (pH = 7.4)
3.023664
Log P
3.023664
Molar Refractivity
42.1308
Polarizability
16.64396
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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