Molecule

ID:69651

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂O
Molecular Mass
191.05452
Exact Mass
189.99522024
Charge
0
InChI
InChI=1S/C8H8Cl2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2
InChIKey
GITOMJDYNUMCOV-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(Cc1cc(c(cc1)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
15.853574
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7026465
LogD (pH = 7.4)
2.7026465
Log P
2.7026465
Molar Refractivity
47.2385
Polarizability
18.350237
Polar Surface Area
20.23
Rotatable Bonds
2
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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