Molecule

ID:74172

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₂
Molecular Mass
219.06462
Exact Mass
217.99013486
Charge
0
InChI
InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKey
FWVOAIHAIWHHDM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)CC(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9649775
LogD (pH = 7.4)
2.9649775
Log P
2.9649775
Molar Refractivity
51.7443
Polarizability
20.451996
Polar Surface Area
26.3
Rotatable Bonds
3
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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