Molecule

ID:7859

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂O₂
Molecular Mass
207.05392
Exact Mass
205.99013486
Charge
0
InChI
InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
InChIKey
PCCMNBRZMKANQD-UHFFFAOYSA-N
Canonic Smiles
OCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
Clc1cc(Cl)c(cc1)OCCO
Calculated Properties
JChem
Acid pKa
15.102074
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.333562
LogD (pH = 7.4)
2.333562
Log P
2.333562
Molar Refractivity
48.4231
Polarizability
19.141325
Polar Surface Area
29.46
Rotatable Bonds
3
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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