Molecule
ID:16028
General Information
Molecular Formula
C₈H₈Cl₂O₂
Molecular Mass
207.05392
Exact Mass
205.99013486
Charge
0
InChI
InChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
RJYXLZQZBLGBOM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)c(cc1OC)Cl
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8659925
LogD (pH = 7.4)
2.8659925
Log P
2.8659925
Molar Refractivity
48.594
Polarizability
19.204945
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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