Molecule

ID:56815

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₃O₂
Molecular Mass
253.50968
Exact Mass
251.9511625
Charge
0
InChI
InChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-7-4-2-3-6(10)8(7)11/h2-5H,1H3
InChIKey
MQZACNBEDMLXBQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1cccc(c1Cl)Cl)C
Isomeric Smiles
c1(c(OC(C(=O)Cl)C)cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6037412
LogD (pH = 7.4)
3.6037412
Log P
3.6037412
Molar Refractivity
56.5678
Polarizability
22.403502
Polar Surface Area
26.3
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
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Molecule Details
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References
Bioactivity
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