Molecule

ID:89449

General Information
Structure
Molecular Formula
C₇H₆Cl₂O
Molecular Mass
177.02794
Exact Mass
175.97957017
Charge
0
InChI
InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
DBHODFSFBXJZNY-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)Cl)CO
Calculated Properties
JChem
Acid pKa
14.683605
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4139855
LogD (pH = 7.4)
2.4139855
Log P
2.4139855
Molar Refractivity
42.4835
Polarizability
16.572483
Polar Surface Area
20.23
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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