Molecule

ID:52364

General Information
Structure
Molecular Formula
C₇H₆Cl₂O
Molecular Mass
177.02794
Exact Mass
175.97957017
Charge
0
InChI
InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
CICQUFBZCADHHX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)Cl
Isomeric Smiles
COc1c(cc(cc1)Cl)Cl
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
16.641176
Polar Surface Area
9.23
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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